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C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)COC)C2 ZINC001109317673 790721184 /nfs/dbraw/zinc/72/11/84/790721184.db2.gz KVKYJPPLJXTMEY-CRWXNKLISA-N 1 2 350.419 -1.392 20 30 FAEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)NC(=O)COC)C2 ZINC001109317673 790721176 /nfs/dbraw/zinc/72/11/76/790721176.db2.gz KVKYJPPLJXTMEY-CRWXNKLISA-N 1 2 350.419 -1.392 20 30 FAEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)COC)C2 ZINC001109317674 790720448 /nfs/dbraw/zinc/72/04/48/790720448.db2.gz KVKYJPPLJXTMEY-MQYQWHSLSA-N 1 2 350.419 -1.392 20 30 FAEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)COC)C2 ZINC001109317674 790720439 /nfs/dbraw/zinc/72/04/39/790720439.db2.gz KVKYJPPLJXTMEY-MQYQWHSLSA-N 1 2 350.419 -1.392 20 30 FAEDLO COCC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109325014 790720174 /nfs/dbraw/zinc/72/01/74/790720174.db2.gz SVMRTZYSXMTEKK-NDBYEHHHSA-N 1 2 351.407 -1.501 20 30 FAEDLO 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CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109363868 790723691 /nfs/dbraw/zinc/72/36/91/790723691.db2.gz BOYDLXZPHDJJFT-WOPDTQHZSA-N 1 2 357.436 -1.713 20 30 FAEDLO CS(=O)(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001109363868 790723680 /nfs/dbraw/zinc/72/36/80/790723680.db2.gz BOYDLXZPHDJJFT-WOPDTQHZSA-N 1 2 357.436 -1.713 20 30 FAEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001109364174 790724741 /nfs/dbraw/zinc/72/47/41/790724741.db2.gz SKBRBNBOQQFFLN-AGIUHOORSA-N 1 2 356.448 -1.603 20 30 FAEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)C2 ZINC001109364174 790724733 /nfs/dbraw/zinc/72/47/33/790724733.db2.gz SKBRBNBOQQFFLN-AGIUHOORSA-N 1 2 356.448 -1.603 20 30 FAEDLO CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001109364981 790722723 /nfs/dbraw/zinc/72/27/23/790722723.db2.gz BHAZCYNEKPMDJZ-WOPDTQHZSA-N 1 2 357.436 -1.713 20 30 FAEDLO 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C[C@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CN1C(=O)OC(C)(C)C ZINC001168815311 790670772 /nfs/dbraw/zinc/67/07/72/790670772.db2.gz ZWGJUUVVKSINTF-XADZXUCXSA-N 1 2 362.423 -1.384 20 30 FAEDLO C[N@H+]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1CO ZINC001171140059 790864307 /nfs/dbraw/zinc/86/43/07/790864307.db2.gz QIGRGDZHMVRCFI-LLVKDONJSA-N 1 2 352.416 -1.140 20 30 FAEDLO C[N@@H+]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1CO ZINC001171140059 790864292 /nfs/dbraw/zinc/86/42/92/790864292.db2.gz QIGRGDZHMVRCFI-LLVKDONJSA-N 1 2 352.416 -1.140 20 30 FAEDLO C[N@H+]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1CO ZINC001171140060 790864816 /nfs/dbraw/zinc/86/48/16/790864816.db2.gz QIGRGDZHMVRCFI-NSHDSACASA-N 1 2 352.416 -1.140 20 30 FAEDLO C[N@@H+]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1CO ZINC001171140060 790864799 /nfs/dbraw/zinc/86/47/99/790864799.db2.gz QIGRGDZHMVRCFI-NSHDSACASA-N 1 2 352.416 -1.140 20 30 FAEDLO CCOC(=O)CON=C(C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)c1ccn[nH]1 ZINC001171141155 790864077 /nfs/dbraw/zinc/86/40/77/790864077.db2.gz ZQZJDKVNYLVLGG-LLVKDONJSA-N 1 2 353.379 -1.172 20 30 FAEDLO CCOC(=O)CON=C(C(=O)N1CC[N@H+](C)[C@@H](CO)C1)c1ccn[nH]1 ZINC001171141155 790864067 /nfs/dbraw/zinc/86/40/67/790864067.db2.gz ZQZJDKVNYLVLGG-LLVKDONJSA-N 1 2 353.379 -1.172 20 30 FAEDLO CCOC(=O)CON=C(C(=O)N1CC[N@@H+](C)[C@H](CO)C1)c1ccn[nH]1 ZINC001171141156 790864620 /nfs/dbraw/zinc/86/46/20/790864620.db2.gz ZQZJDKVNYLVLGG-NSHDSACASA-N 1 2 353.379 -1.172 20 30 FAEDLO CCOC(=O)CON=C(C(=O)N1CC[N@H+](C)[C@H](CO)C1)c1ccn[nH]1 ZINC001171141156 790864605 /nfs/dbraw/zinc/86/46/05/790864605.db2.gz ZQZJDKVNYLVLGG-NSHDSACASA-N 1 2 353.379 -1.172 20 30 FAEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1=O ZINC001171687340 790998524 /nfs/dbraw/zinc/99/85/24/790998524.db2.gz JGNSGAGUUYBYJO-IFHCSVGRSA-N 1 2 362.379 -2.246 20 30 FAEDLO CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1=O ZINC001171687341 790998670 /nfs/dbraw/zinc/99/86/70/790998670.db2.gz JGNSGAGUUYBYJO-QSXVKLJYSA-N 1 2 362.379 -2.246 20 30 FAEDLO C[C@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CN1Cc1ccccc1 ZINC001171730716 790997482 /nfs/dbraw/zinc/99/74/82/790997482.db2.gz YTMSZJLHCVHKJX-KGQBHFCXSA-N 1 2 352.431 -1.119 20 30 FAEDLO C[C@@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CN1Cc1ccccc1 ZINC001171730720 790997996 /nfs/dbraw/zinc/99/79/96/790997996.db2.gz YTMSZJLHCVHKJX-NPFDDYGESA-N 1 2 352.431 -1.119 20 30 FAEDLO C[C@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CN1Cc1ccccc1 ZINC001171730724 790998813 /nfs/dbraw/zinc/99/88/13/790998813.db2.gz YTMSZJLHCVHKJX-RUQGMTTNSA-N 1 2 352.431 -1.119 20 30 FAEDLO C[C@@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CN1Cc1ccccc1 ZINC001171730729 790998648 /nfs/dbraw/zinc/99/86/48/790998648.db2.gz YTMSZJLHCVHKJX-VNSXWMIVSA-N 1 2 352.431 -1.119 20 30 FAEDLO COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H]1C(=O)OC ZINC001173564799 791001517 /nfs/dbraw/zinc/00/15/17/791001517.db2.gz LSVFAKRIUBOTLE-IVMZMKDDSA-N 1 2 363.363 -3.041 20 30 FAEDLO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H]1C(=O)OC ZINC001173564808 791001338 /nfs/dbraw/zinc/00/13/38/791001338.db2.gz LSVFAKRIUBOTLE-KVYJJMQOSA-N 1 2 363.363 -3.041 20 30 FAEDLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001187991591 791953897 /nfs/dbraw/zinc/95/38/97/791953897.db2.gz UDXQYFVYRHBVGJ-FRRDWIJNSA-N 1 2 371.463 -1.513 20 30 FAEDLO CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001187991591 791953895 /nfs/dbraw/zinc/95/38/95/791953895.db2.gz UDXQYFVYRHBVGJ-FRRDWIJNSA-N 1 2 371.463 -1.513 20 30 FAEDLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001187991592 791953874 /nfs/dbraw/zinc/95/38/74/791953874.db2.gz UDXQYFVYRHBVGJ-RWMBFGLXSA-N 1 2 371.463 -1.513 20 30 FAEDLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001187991592 791953871 /nfs/dbraw/zinc/95/38/71/791953871.db2.gz UDXQYFVYRHBVGJ-RWMBFGLXSA-N 1 2 371.463 -1.513 20 30 FAEDLO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188018494 791954434 /nfs/dbraw/zinc/95/44/34/791954434.db2.gz KOIRWZDFECSIRP-FRRDWIJNSA-N 1 2 351.407 -1.690 20 30 FAEDLO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188018494 791954430 /nfs/dbraw/zinc/95/44/30/791954430.db2.gz KOIRWZDFECSIRP-FRRDWIJNSA-N 1 2 351.407 -1.690 20 30 FAEDLO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188018495 791954636 /nfs/dbraw/zinc/95/46/36/791954636.db2.gz KOIRWZDFECSIRP-RWMBFGLXSA-N 1 2 351.407 -1.690 20 30 FAEDLO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188018495 791954633 /nfs/dbraw/zinc/95/46/33/791954633.db2.gz KOIRWZDFECSIRP-RWMBFGLXSA-N 1 2 351.407 -1.690 20 30 FAEDLO CCC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)S(N)(=O)=O ZINC001188663811 791964380 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/nfs/dbraw/zinc/96/53/07/791965307.db2.gz ZFSCYODXVPXZHQ-BFHYXJOUSA-N 1 2 370.475 -1.274 20 30 FAEDLO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1 ZINC001188665226 791965415 /nfs/dbraw/zinc/96/54/15/791965415.db2.gz ZFSCYODXVPXZHQ-MJBXVCDLSA-N 1 2 370.475 -1.274 20 30 FAEDLO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CCC)S(N)(=O)=O)[C@@H]2C1 ZINC001188665226 791965412 /nfs/dbraw/zinc/96/54/12/791965412.db2.gz ZFSCYODXVPXZHQ-MJBXVCDLSA-N 1 2 370.475 -1.274 20 30 FAEDLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189238257 791974267 /nfs/dbraw/zinc/97/42/67/791974267.db2.gz WQSMMUSXSXXQCD-GRYCIOLGSA-N 1 2 357.436 -1.903 20 30 FAEDLO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189238257 791974261 /nfs/dbraw/zinc/97/42/61/791974261.db2.gz WQSMMUSXSXXQCD-GRYCIOLGSA-N 1 2 357.436 -1.903 20 30 FAEDLO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189238258 791974219 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C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C[C@@H]1O ZINC001219346175 793241215 /nfs/dbraw/zinc/24/12/15/793241215.db2.gz DWICBFZNHBSOLC-MJBXVCDLSA-N 1 2 352.435 -1.162 20 30 FAEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@@H]1O ZINC001219346356 793241184 /nfs/dbraw/zinc/24/11/84/793241184.db2.gz KIZTZFQSSIFFHE-CABCVRRESA-N 1 2 352.435 -1.195 20 30 FAEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@@H]1O ZINC001219346356 793241177 /nfs/dbraw/zinc/24/11/77/793241177.db2.gz KIZTZFQSSIFFHE-CABCVRRESA-N 1 2 352.435 -1.195 20 30 FAEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001219349126 793242844 /nfs/dbraw/zinc/24/28/44/793242844.db2.gz OWLMAQSKHYDFKT-UPJWGTAASA-N 1 2 356.423 -1.025 20 30 FAEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001219349126 793242837 /nfs/dbraw/zinc/24/28/37/793242837.db2.gz OWLMAQSKHYDFKT-UPJWGTAASA-N 1 2 356.423 -1.025 20 30 FAEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001219349130 793242394 /nfs/dbraw/zinc/24/23/94/793242394.db2.gz OWLMAQSKHYDFKT-XQQFMLRXSA-N 1 2 356.423 -1.025 20 30 FAEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCOCC)[C@@H](O)C1 ZINC001219349130 793242392 /nfs/dbraw/zinc/24/23/92/793242392.db2.gz OWLMAQSKHYDFKT-XQQFMLRXSA-N 1 2 356.423 -1.025 20 30 FAEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219350607 793243117 /nfs/dbraw/zinc/24/31/17/793243117.db2.gz CAZTUADEFVRUJH-MCIONIFRSA-N 1 2 352.435 -1.149 20 30 FAEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219350607 793243109 /nfs/dbraw/zinc/24/31/09/793243109.db2.gz CAZTUADEFVRUJH-MCIONIFRSA-N 1 2 352.435 -1.149 20 30 FAEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219350608 793242960 /nfs/dbraw/zinc/24/29/60/793242960.db2.gz CAZTUADEFVRUJH-RDBSUJKOSA-N 1 2 352.435 -1.149 20 30 FAEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CCC(=O)NCC)[C@@H](O)C2)C1=O ZINC001219350608 793242953 /nfs/dbraw/zinc/24/29/53/793242953.db2.gz CAZTUADEFVRUJH-RDBSUJKOSA-N 1 2 352.435 -1.149 20 30 FAEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357732 793244099 /nfs/dbraw/zinc/24/40/99/793244099.db2.gz INODEZMHKJBFSL-MCIONIFRSA-N 1 2 350.419 -1.373 20 30 FAEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357732 793244094 /nfs/dbraw/zinc/24/40/94/793244094.db2.gz INODEZMHKJBFSL-MCIONIFRSA-N 1 2 350.419 -1.373 20 30 FAEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357930 793243834 /nfs/dbraw/zinc/24/38/34/793243834.db2.gz QCPLMXVKFAXBJA-MCIONIFRSA-N 1 2 352.435 -1.149 20 30 FAEDLO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357930 793243827 /nfs/dbraw/zinc/24/38/27/793243827.db2.gz QCPLMXVKFAXBJA-MCIONIFRSA-N 1 2 352.435 -1.149 20 30 FAEDLO 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C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733152 793588712 /nfs/dbraw/zinc/58/87/12/793588712.db2.gz AWTLPPSHQFZKTM-UTUOFQBUSA-N 1 2 360.436 -2.775 20 30 FAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733165 793588476 /nfs/dbraw/zinc/58/84/76/793588476.db2.gz BRNZNEQRZKXNGK-TUAOUCFPSA-N 1 2 362.452 -2.222 20 30 FAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733165 793588471 /nfs/dbraw/zinc/58/84/71/793588471.db2.gz BRNZNEQRZKXNGK-TUAOUCFPSA-N 1 2 362.452 -2.222 20 30 FAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733166 793588725 /nfs/dbraw/zinc/58/87/25/793588725.db2.gz BRNZNEQRZKXNGK-UTUOFQBUSA-N 1 2 362.452 -2.222 20 30 FAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733166 793588723 /nfs/dbraw/zinc/58/87/23/793588723.db2.gz BRNZNEQRZKXNGK-UTUOFQBUSA-N 1 2 362.452 -2.222 20 30 FAEDLO 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C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734832 793591085 /nfs/dbraw/zinc/59/10/85/793591085.db2.gz GEAIAXSQJZXRGT-TUAOUCFPSA-N 1 2 360.436 -2.775 20 30 FAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734833 793591470 /nfs/dbraw/zinc/59/14/70/793591470.db2.gz GEAIAXSQJZXRGT-UTUOFQBUSA-N 1 2 360.436 -2.775 20 30 FAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219734833 793591462 /nfs/dbraw/zinc/59/14/62/793591462.db2.gz GEAIAXSQJZXRGT-UTUOFQBUSA-N 1 2 360.436 -2.775 20 30 FAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 ZINC001219735052 793593005 /nfs/dbraw/zinc/59/30/05/793593005.db2.gz RNMKAVKFTHPODK-MCIONIFRSA-N 1 2 354.451 -1.047 20 30 FAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN(C)C(=O)C(C)C)[C@@H](O)C1 ZINC001219735052 793593000 /nfs/dbraw/zinc/59/30/00/793593000.db2.gz RNMKAVKFTHPODK-MCIONIFRSA-N 1 2 354.451 -1.047 20 30 FAEDLO 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