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/nfs/dbraw/zinc/36/86/92/172368692.db2.gz UWLVYRMERHEYGR-ZCFIWIBFSA-N 1 1 217.294 -1.147 20 0 BAADMO CC[NH+](CC)CCNC(=O)CNC(=O)CN ZINC000037481678 344508604 /nfs/dbraw/zinc/50/86/04/344508604.db2.gz TXUHGHFGXDAGIE-UHFFFAOYSA-N 1 1 230.312 -1.481 20 0 BAADMO NCC(=O)NCC(=O)NCC[NH+]1CCCC1 ZINC000037482098 181352248 /nfs/dbraw/zinc/35/22/48/181352248.db2.gz PDSNYXOEVWAAIZ-UHFFFAOYSA-N 1 1 228.296 -1.727 20 0 BAADMO O=C(CN1CC[NH2+]CC1)N1CCNCC1 ZINC000037482535 398328291 /nfs/dbraw/zinc/32/82/91/398328291.db2.gz OELYACPPZVLXQL-UHFFFAOYSA-N 1 1 212.297 -1.677 20 0 BAADMO C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)CN ZINC000037622848 387566012 /nfs/dbraw/zinc/56/60/12/387566012.db2.gz BSZNJGMCSHWDNX-UHFFFAOYSA-N 1 1 244.339 -1.235 20 0 BAADMO CC[NH+](CC)CCCNC(=O)CNC(=O)CN ZINC000037623140 344550134 /nfs/dbraw/zinc/55/01/34/344550134.db2.gz LUHHYGGQBBTZFL-UHFFFAOYSA-N 1 1 244.339 -1.091 20 0 BAADMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)CN ZINC000037623204 344550500 /nfs/dbraw/zinc/55/05/00/344550500.db2.gz VAFPTQNDRKKMMQ-SECBINFHSA-N 1 1 242.323 -1.338 20 0 BAADMO CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000037623204 344550498 /nfs/dbraw/zinc/55/04/98/344550498.db2.gz VAFPTQNDRKKMMQ-SECBINFHSA-N 1 1 242.323 -1.338 20 0 BAADMO CC[N@@H+]1CCC[C@H]1CNC(=O)CNC(=O)CN ZINC000037623205 344550119 /nfs/dbraw/zinc/55/01/19/344550119.db2.gz VAFPTQNDRKKMMQ-VIFPVBQESA-N 1 1 242.323 -1.338 20 0 BAADMO CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)C[NH3+] ZINC000037623205 344550117 /nfs/dbraw/zinc/55/01/17/344550117.db2.gz VAFPTQNDRKKMMQ-VIFPVBQESA-N 1 1 242.323 -1.338 20 0 BAADMO NCC(=O)NCC(=O)NCCC[NH+]1CCCC1 ZINC000037626129 181351929 /nfs/dbraw/zinc/35/19/29/181351929.db2.gz CRVYUBOQQMTHJV-UHFFFAOYSA-N 1 1 242.323 -1.337 20 0 BAADMO CC(C)N1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000037626429 712693843 /nfs/dbraw/zinc/69/38/43/712693843.db2.gz PDTOEQWPCURCSJ-UHFFFAOYSA-N 1 1 242.323 -1.386 20 0 BAADMO COCCN(CCOC)C(=O)[C@H]([NH3+])CC(N)=O ZINC000037626467 174296489 /nfs/dbraw/zinc/29/64/89/174296489.db2.gz 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244.339 -1.092 20 0 BAADMO CC[NH+](CC)C[C@H](C)NC(=O)CNC(=O)CN ZINC000041680124 358513436 /nfs/dbraw/zinc/51/34/36/358513436.db2.gz UPMSHBZCZNEAPE-VIFPVBQESA-N 1 1 244.339 -1.092 20 0 BAADMO CCCN(CC[NH+](C)C)C(=O)CNC(=O)CN ZINC000041680281 358334053 /nfs/dbraw/zinc/33/40/53/358334053.db2.gz MZCWNFWYEZJSCO-UHFFFAOYSA-N 1 1 244.339 -1.139 20 0 BAADMO COCC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000042381769 174048917 /nfs/dbraw/zinc/04/89/17/174048917.db2.gz KZFBBVATFYYIKM-UHFFFAOYSA-N 1 1 243.307 -1.087 20 0 BAADMO COC[C@@H](O)C[N@@H+](C)CCOCCO ZINC000042512533 384821107 /nfs/dbraw/zinc/82/11/07/384821107.db2.gz RYAVISHTDNSMNQ-VIFPVBQESA-N 1 1 207.270 -1.066 20 0 BAADMO COC[C@H](O)C[N@@H+](C)CCOCCO ZINC000042512536 344457501 /nfs/dbraw/zinc/45/75/01/344457501.db2.gz RYAVISHTDNSMNQ-SECBINFHSA-N 1 1 207.270 -1.066 20 0 BAADMO CNC(=O)[C@@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000042572935 173294570 /nfs/dbraw/zinc/29/45/70/173294570.db2.gz KNKDXVLADAICMH-RITPCOANSA-N 1 1 217.294 -1.100 20 0 BAADMO 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C[C@@H](NS(C)(=O)=O)C(=O)N1CC[NH+](C)CC1 ZINC000130666810 388686203 /nfs/dbraw/zinc/68/62/03/388686203.db2.gz FOWUZFUWPKVQCI-MRVPVSSYSA-N 1 1 249.336 -1.302 20 0 BAADMO C[C@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC000131128918 385071553 /nfs/dbraw/zinc/07/15/53/385071553.db2.gz DBNUDOKPGBFESF-ZETCQYMHSA-N 1 1 210.299 -1.152 20 0 BAADMO C[C@@H](O)C[N@@H+](C)CCNS(C)(=O)=O ZINC000131129159 344228575 /nfs/dbraw/zinc/22/85/75/344228575.db2.gz DBNUDOKPGBFESF-SSDOTTSWSA-N 1 1 210.299 -1.152 20 0 BAADMO C[C@H](O)C[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000131134126 358662202 /nfs/dbraw/zinc/66/22/02/358662202.db2.gz DKPKACDSBBBTFT-IUCAKERBSA-N 1 1 245.323 -1.108 20 0 BAADMO C[C@H](O)C[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000131134126 358662196 /nfs/dbraw/zinc/66/21/96/358662196.db2.gz DKPKACDSBBBTFT-IUCAKERBSA-N 1 1 245.323 -1.108 20 0 BAADMO C[C@@H](O)C[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000131134340 358662254 /nfs/dbraw/zinc/66/22/54/358662254.db2.gz DKPKACDSBBBTFT-BDAKNGLRSA-N 1 1 245.323 -1.108 20 0 BAADMO C[C@@H](O)C[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000131134340 358662249 /nfs/dbraw/zinc/66/22/49/358662249.db2.gz DKPKACDSBBBTFT-BDAKNGLRSA-N 1 1 245.323 -1.108 20 0 BAADMO COC(=O)CNC(=O)CC[N@@H+](C)C[C@H](C)O ZINC000131184243 358665070 /nfs/dbraw/zinc/66/50/70/358665070.db2.gz SMEFWLAYYWEMRR-QMMMGPOBSA-N 1 1 232.280 -1.022 20 0 BAADMO COC(=O)CNC(=O)CC[N@@H+](C)C[C@@H](C)O ZINC000131184453 358664936 /nfs/dbraw/zinc/66/49/36/358664936.db2.gz SMEFWLAYYWEMRR-MRVPVSSYSA-N 1 1 232.280 -1.022 20 0 BAADMO COC(=O)CCNC(=O)C[N@@H+](C)C[C@H](C)O ZINC000131246703 358666853 /nfs/dbraw/zinc/66/68/53/358666853.db2.gz NFNPNJQQFWKGGS-QMMMGPOBSA-N 1 1 232.280 -1.022 20 0 BAADMO COC(=O)CCNC(=O)C[N@@H+](C)C[C@@H](C)O ZINC000131246866 358666778 /nfs/dbraw/zinc/66/67/78/358666778.db2.gz NFNPNJQQFWKGGS-MRVPVSSYSA-N 1 1 232.280 -1.022 20 0 BAADMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000131248412 488051960 /nfs/dbraw/zinc/05/19/60/488051960.db2.gz BKQUPLDNVNBEDI-QMMMGPOBSA-N 1 1 229.280 -1.743 20 0 BAADMO C[C@H](O)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000131248412 488051958 /nfs/dbraw/zinc/05/19/58/488051958.db2.gz BKQUPLDNVNBEDI-QMMMGPOBSA-N 1 1 229.280 -1.743 20 0 BAADMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000131248609 488051494 /nfs/dbraw/zinc/05/14/94/488051494.db2.gz BKQUPLDNVNBEDI-MRVPVSSYSA-N 1 1 229.280 -1.743 20 0 BAADMO C[C@@H](O)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC000131248609 488051490 /nfs/dbraw/zinc/05/14/90/488051490.db2.gz BKQUPLDNVNBEDI-MRVPVSSYSA-N 1 1 229.280 -1.743 20 0 BAADMO C[C@H](O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000131278737 385081733 /nfs/dbraw/zinc/08/17/33/385081733.db2.gz DGKDDOIRHRUVSO-QWRGUYRKSA-N 1 1 232.324 -1.008 20 0 BAADMO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000131278934 385082248 /nfs/dbraw/zinc/08/22/48/385082248.db2.gz DGKDDOIRHRUVSO-MNOVXSKESA-N 1 1 232.324 -1.008 20 0 BAADMO C[C@@H](C[NH+](CCO)CCO)CS(C)(=O)=O ZINC000131314313 191012465 /nfs/dbraw/zinc/01/24/65/191012465.db2.gz HSEXUUXWURJFLQ-VIFPVBQESA-N 1 1 239.337 -1.046 20 0 BAADMO C[C@H](C[NH+](CCO)CCO)CS(C)(=O)=O ZINC000131314526 191011475 /nfs/dbraw/zinc/01/14/75/191011475.db2.gz HSEXUUXWURJFLQ-SECBINFHSA-N 1 1 239.337 -1.046 20 0 BAADMO CCOC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131925952 386227591 /nfs/dbraw/zinc/22/75/91/386227591.db2.gz WBCIJIVXNOVIEZ-BBBLOLIVSA-N 1 1 246.307 -1.042 20 0 BAADMO CCOC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131925952 386227588 /nfs/dbraw/zinc/22/75/88/386227588.db2.gz WBCIJIVXNOVIEZ-BBBLOLIVSA-N 1 1 246.307 -1.042 20 0 BAADMO CCOC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131926183 386227458 /nfs/dbraw/zinc/22/74/58/386227458.db2.gz WBCIJIVXNOVIEZ-UTLUCORTSA-N 1 1 246.307 -1.042 20 0 BAADMO CCOC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000131926183 386227453 /nfs/dbraw/zinc/22/74/53/386227453.db2.gz WBCIJIVXNOVIEZ-UTLUCORTSA-N 1 1 246.307 -1.042 20 0 BAADMO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)CO)C(=O)N(C)C ZINC000131992634 358702350 /nfs/dbraw/zinc/70/23/50/358702350.db2.gz RVSMGGGBIBKQHI-IUCAKERBSA-N 1 1 245.323 -1.108 20 0 BAADMO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)CO)C(=O)N(C)C ZINC000131992634 358702347 /nfs/dbraw/zinc/70/23/47/358702347.db2.gz RVSMGGGBIBKQHI-IUCAKERBSA-N 1 1 245.323 -1.108 20 0 BAADMO C[C@H](CO)[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000131992820 358702218 /nfs/dbraw/zinc/70/22/18/358702218.db2.gz RVSMGGGBIBKQHI-BDAKNGLRSA-N 1 1 245.323 -1.108 20 0 BAADMO C[C@H](CO)[N@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000131992820 358702216 /nfs/dbraw/zinc/70/22/16/358702216.db2.gz RVSMGGGBIBKQHI-BDAKNGLRSA-N 1 1 245.323 -1.108 20 0 BAADMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCNC1=O ZINC000132057693 344271065 /nfs/dbraw/zinc/27/10/65/344271065.db2.gz KKMLYLJTCSLVJW-ZETCQYMHSA-N 1 1 215.253 -1.149 20 0 BAADMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCNC1=O ZINC000132057866 344270905 /nfs/dbraw/zinc/27/09/05/344270905.db2.gz KKMLYLJTCSLVJW-SSDOTTSWSA-N 1 1 215.253 -1.149 20 0 BAADMO COC(=O)CNC(=O)CC[N@@H+](C)[C@@H](C)CO ZINC000132103778 358707681 /nfs/dbraw/zinc/70/76/81/358707681.db2.gz YGXUMVSSTYXTTA-QMMMGPOBSA-N 1 1 232.280 -1.022 20 0 BAADMO COC(=O)CNC(=O)CC[N@@H+](C)[C@H](C)CO ZINC000132103970 358707723 /nfs/dbraw/zinc/70/77/23/358707723.db2.gz YGXUMVSSTYXTTA-MRVPVSSYSA-N 1 1 232.280 -1.022 20 0 BAADMO COC(=O)CCNC(=O)C[N@@H+](C)[C@@H](C)CO ZINC000132162238 358709792 /nfs/dbraw/zinc/70/97/92/358709792.db2.gz PRGUHIAHDGPEMZ-QMMMGPOBSA-N 1 1 232.280 -1.022 20 0 BAADMO COC(=O)CCNC(=O)C[N@@H+](C)[C@H](C)CO ZINC000132162433 358709756 /nfs/dbraw/zinc/70/97/56/358709756.db2.gz PRGUHIAHDGPEMZ-MRVPVSSYSA-N 1 1 232.280 -1.022 20 0 BAADMO CC(C)[N@@H+](C)CC(=O)NC(CO)CO ZINC000132321376 345327076 /nfs/dbraw/zinc/32/70/76/345327076.db2.gz CWCNHLVLFGAGSE-UHFFFAOYSA-N 1 1 204.270 -1.204 20 0 BAADMO COCC[N@@H+](CCOCCO)[C@@H](C)C(N)=O ZINC000132995690 358741885 /nfs/dbraw/zinc/74/18/85/358741885.db2.gz WOKGALIIEVQXFI-VIFPVBQESA-N 1 1 234.296 -1.183 20 0 BAADMO COCC[N@H+](CCOCCO)[C@@H](C)C(N)=O ZINC000132995690 358741881 /nfs/dbraw/zinc/74/18/81/358741881.db2.gz WOKGALIIEVQXFI-VIFPVBQESA-N 1 1 234.296 -1.183 20 0 BAADMO COCC[N@@H+](CCOCCO)[C@H](C)C(N)=O ZINC000132995917 358742051 /nfs/dbraw/zinc/74/20/51/358742051.db2.gz WOKGALIIEVQXFI-SECBINFHSA-N 1 1 234.296 -1.183 20 0 BAADMO COCC[N@H+](CCOCCO)[C@H](C)C(N)=O ZINC000132995917 358742050 /nfs/dbraw/zinc/74/20/50/358742050.db2.gz WOKGALIIEVQXFI-SECBINFHSA-N 1 1 234.296 -1.183 20 0 BAADMO OCCC[N@@H+](CCO)CCOCCO ZINC000133042611 344312249 /nfs/dbraw/zinc/31/22/49/344312249.db2.gz ZMNJLPHSQUMBAY-UHFFFAOYSA-N 1 1 207.270 -1.328 20 0 BAADMO CN(CCC[NH3+])CCN1C(=O)CNC1=O ZINC000133222683 411657253 /nfs/dbraw/zinc/65/72/53/411657253.db2.gz VTIOGGJVCPNJGA-UHFFFAOYSA-N 1 1 214.269 -1.181 20 0 BAADMO C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@H](O)CO ZINC000133740826 711559320 /nfs/dbraw/zinc/55/93/20/711559320.db2.gz PPCXNERUPLDNGU-HRDYMLBCSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@H](O)CO ZINC000133740826 711559311 /nfs/dbraw/zinc/55/93/11/711559311.db2.gz PPCXNERUPLDNGU-HRDYMLBCSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@H]1CO[C@@H](CO)C[N@H+]1C[C@H](O)CO ZINC000133741032 711460306 /nfs/dbraw/zinc/46/03/06/711460306.db2.gz PPCXNERUPLDNGU-XHNCKOQMSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@H]1CO[C@@H](CO)C[N@@H+]1C[C@H](O)CO ZINC000133741032 711460304 /nfs/dbraw/zinc/46/03/04/711460304.db2.gz PPCXNERUPLDNGU-XHNCKOQMSA-N 1 1 205.254 -1.579 20 0 BAADMO COC[C@@H](O)C[N@@H+](C)CC(C)(CO)CO ZINC000133775063 345386761 /nfs/dbraw/zinc/38/67/61/345386761.db2.gz JZUPVCVSXIKHKL-VIFPVBQESA-N 1 1 221.297 -1.084 20 0 BAADMO CCNC(=O)NC(=O)C[N@@H+](CCO)CCOC ZINC000134386590 358788805 /nfs/dbraw/zinc/78/88/05/358788805.db2.gz MVTDSXVSMIQWCC-UHFFFAOYSA-N 1 1 247.295 -1.227 20 0 BAADMO CCNC(=O)NC(=O)C[N@H+](CCO)CCOC ZINC000134386590 358788802 /nfs/dbraw/zinc/78/88/02/358788802.db2.gz MVTDSXVSMIQWCC-UHFFFAOYSA-N 1 1 247.295 -1.227 20 0 BAADMO COCC[N@@H+](CCO)CCN1C(=O)CNC1=O ZINC000134389791 358788765 /nfs/dbraw/zinc/78/87/65/358788765.db2.gz VBQXEWOOUQMRSM-UHFFFAOYSA-N 1 1 245.279 -1.521 20 0 BAADMO CNC(=O)NC(=O)CC[N@@H+](CCO)CCOC ZINC000134390264 358788350 /nfs/dbraw/zinc/78/83/50/358788350.db2.gz GARYMJATEVHXMY-UHFFFAOYSA-N 1 1 247.295 -1.227 20 0 BAADMO COCC[N@@H+](CCO)CC(=O)N1CCNC1=O ZINC000134892406 536842323 /nfs/dbraw/zinc/84/23/23/536842323.db2.gz GLQHSPFGSQFLKM-UHFFFAOYSA-N 1 1 245.279 -1.521 20 0 BAADMO COCC[N@H+](CCO)CC(=O)N1CCNC1=O ZINC000134892406 536842318 /nfs/dbraw/zinc/84/23/18/536842318.db2.gz GLQHSPFGSQFLKM-UHFFFAOYSA-N 1 1 245.279 -1.521 20 0 BAADMO CCOC(=O)C[C@H](O)C[N@@H+](C)CC(N)=O ZINC000135019168 343449772 /nfs/dbraw/zinc/44/97/72/343449772.db2.gz ACWGOVTVKARVJS-ZETCQYMHSA-N 1 1 218.253 -1.282 20 0 BAADMO CCOC(=O)C[C@H](O)C[N@H+](C)CC(N)=O ZINC000135019168 343449770 /nfs/dbraw/zinc/44/97/70/343449770.db2.gz ACWGOVTVKARVJS-ZETCQYMHSA-N 1 1 218.253 -1.282 20 0 BAADMO CCOC(=O)C[C@@H](O)C[N@@H+](C)CC(N)=O ZINC000135019189 364423399 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CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CO)C1 ZINC000227864829 640852371 /nfs/dbraw/zinc/85/23/71/640852371.db2.gz RBXJLERRHALBDA-RKDXNWHRSA-N 1 1 216.281 -1.202 20 0 BAADMO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CO)C1 ZINC000227864832 640852465 /nfs/dbraw/zinc/85/24/65/640852465.db2.gz RBXJLERRHALBDA-DTWKUNHWSA-N 1 1 216.281 -1.202 20 0 BAADMO C[C@@H]1CO[C@@H](CO)C[N@H+]1C[C@@H](O)CO ZINC000228128763 711833706 /nfs/dbraw/zinc/83/37/06/711833706.db2.gz PPCXNERUPLDNGU-IWSPIJDZSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@@H]1CO[C@@H](CO)C[N@@H+]1C[C@@H](O)CO ZINC000228128763 711833705 /nfs/dbraw/zinc/83/37/05/711833705.db2.gz PPCXNERUPLDNGU-IWSPIJDZSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@H]1CO[C@@H](CO)C[N@H+]1C[C@@H](O)CO ZINC000228128770 711833674 /nfs/dbraw/zinc/83/36/74/711833674.db2.gz PPCXNERUPLDNGU-DJLDLDEBSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@H]1CO[C@@H](CO)C[N@@H+]1C[C@@H](O)CO ZINC000228128770 711833673 /nfs/dbraw/zinc/83/36/73/711833673.db2.gz PPCXNERUPLDNGU-DJLDLDEBSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@@H]1CO[C@H](CO)C[N@H+]1C[C@@H](O)CO ZINC000228128778 711833600 /nfs/dbraw/zinc/83/36/00/711833600.db2.gz PPCXNERUPLDNGU-HLTSFMKQSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@@H]1CO[C@H](CO)C[N@@H+]1C[C@@H](O)CO ZINC000228128778 711833598 /nfs/dbraw/zinc/83/35/98/711833598.db2.gz PPCXNERUPLDNGU-HLTSFMKQSA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@H]1CO[C@H](CO)C[N@H+]1C[C@@H](O)CO ZINC000228128787 711833714 /nfs/dbraw/zinc/83/37/14/711833714.db2.gz PPCXNERUPLDNGU-YIZRAAEISA-N 1 1 205.254 -1.579 20 0 BAADMO C[C@H]1CO[C@H](CO)C[N@@H+]1C[C@@H](O)CO ZINC000228128787 711833713 /nfs/dbraw/zinc/83/37/13/711833713.db2.gz PPCXNERUPLDNGU-YIZRAAEISA-N 1 1 205.254 -1.579 20 0 BAADMO COC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)CO)C1 ZINC000228325289 711834479 /nfs/dbraw/zinc/83/44/79/711834479.db2.gz SQLOYJBKIRQKKW-JGVFFNPUSA-N 1 1 218.253 -1.230 20 0 BAADMO C[NH+](C)C[C@@](C)(O)CNC(=O)c1nc[nH]n1 ZINC000228748832 386609790 /nfs/dbraw/zinc/60/97/90/386609790.db2.gz YWYYIWLYXDOZPC-VIFPVBQESA-N 1 1 227.268 -1.153 20 0 BAADMO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ncn[nH]1 ZINC000228748832 386609782 /nfs/dbraw/zinc/60/97/82/386609782.db2.gz YWYYIWLYXDOZPC-VIFPVBQESA-N 1 1 227.268 -1.153 20 0 BAADMO C[NH+](C)C[C@](C)(O)CNC(=O)c1nc[nH]n1 ZINC000228748840 386610613 /nfs/dbraw/zinc/61/06/13/386610613.db2.gz YWYYIWLYXDOZPC-SECBINFHSA-N 1 1 227.268 -1.153 20 0 BAADMO C[NH+](C)C[C@](C)(O)CNC(=O)c1ncn[nH]1 ZINC000228748840 386610609 /nfs/dbraw/zinc/61/06/09/386610609.db2.gz YWYYIWLYXDOZPC-SECBINFHSA-N 1 1 227.268 -1.153 20 0 BAADMO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cnn[nH]1 ZINC000228752725 384319516 /nfs/dbraw/zinc/31/95/16/384319516.db2.gz NEROVJQXYWRZTO-VIFPVBQESA-N 1 1 227.268 -1.153 20 0 BAADMO C[NH+](C)C[C@](C)(O)CNC(=O)c1cnn[nH]1 ZINC000228752737 172498183 /nfs/dbraw/zinc/49/81/83/172498183.db2.gz NEROVJQXYWRZTO-SECBINFHSA-N 1 1 227.268 -1.153 20 0 BAADMO CC1(C)C[N@@H+](C[C@@H](O)CO)C[C@@H](CO)O1 ZINC000228938411 711837103 /nfs/dbraw/zinc/83/71/03/711837103.db2.gz IZFPOLYDMVOKDY-BDAKNGLRSA-N 1 1 219.281 -1.189 20 0 BAADMO CC1(C)C[N@H+](C[C@@H](O)CO)C[C@@H](CO)O1 ZINC000228938411 711837101 /nfs/dbraw/zinc/83/71/01/711837101.db2.gz IZFPOLYDMVOKDY-BDAKNGLRSA-N 1 1 219.281 -1.189 20 0 BAADMO CN1C(=O)C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000229913759 487990393 /nfs/dbraw/zinc/99/03/93/487990393.db2.gz DVRGGLWTUFXVSF-QYNIQEEDSA-N 1 1 214.221 -2.219 20 0 BAADMO CN1C(=O)C[C@@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000229913759 487990384 /nfs/dbraw/zinc/99/03/84/487990384.db2.gz DVRGGLWTUFXVSF-QYNIQEEDSA-N 1 1 214.221 -2.219 20 0 BAADMO CN1C(=O)C[C@H]([N@@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000229913766 487990698 /nfs/dbraw/zinc/99/06/98/487990698.db2.gz DVRGGLWTUFXVSF-LYFYHCNISA-N 1 1 214.221 -2.219 20 0 BAADMO CN1C(=O)C[C@H]([N@H+]2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000229913766 487990689 /nfs/dbraw/zinc/99/06/89/487990689.db2.gz DVRGGLWTUFXVSF-LYFYHCNISA-N 1 1 214.221 -2.219 20 0 BAADMO COC(=O)[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000229973229 384479816 /nfs/dbraw/zinc/47/98/16/384479816.db2.gz GTSSUTXCJLGGBC-FXPVBKGRSA-N 1 1 247.291 -1.008 20 0 BAADMO COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000229973229 384479809 /nfs/dbraw/zinc/47/98/09/384479809.db2.gz GTSSUTXCJLGGBC-FXPVBKGRSA-N 1 1 247.291 -1.008 20 0 BAADMO C[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@@H](CO)O1 ZINC000230016570 388348539 /nfs/dbraw/zinc/34/85/39/388348539.db2.gz ZYGWSCWNPHXBNH-SFYZADRCSA-N 1 1 245.279 -1.347 20 0 BAADMO C[C@@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@@H](CO)O1 ZINC000230016570 388348537 /nfs/dbraw/zinc/34/85/37/388348537.db2.gz ZYGWSCWNPHXBNH-SFYZADRCSA-N 1 1 245.279 -1.347 20 0 BAADMO C[C@H]1C[N@@H+](CCC(=O)NC(N)=O)C[C@@H](CO)O1 ZINC000230016576 388348294 /nfs/dbraw/zinc/34/82/94/388348294.db2.gz ZYGWSCWNPHXBNH-YUMQZZPRSA-N 1 1 245.279 -1.347 20 0 BAADMO C[C@H]1C[N@H+](CCC(=O)NC(N)=O)C[C@@H](CO)O1 ZINC000230016576 388348290 /nfs/dbraw/zinc/34/82/90/388348290.db2.gz ZYGWSCWNPHXBNH-YUMQZZPRSA-N 1 1 245.279 -1.347 20 0 BAADMO CCN(CCC[NH+](C)C)C(=O)CNC(=O)CN ZINC000230711348 358410436 /nfs/dbraw/zinc/41/04/36/358410436.db2.gz XZBLYIHSVXWTQV-UHFFFAOYSA-N 1 1 244.339 -1.139 20 0 BAADMO CN(C)S(=O)(=O)CC[NH2+]C1COC1 ZINC000230993142 363334128 /nfs/dbraw/zinc/33/41/28/363334128.db2.gz XBVCWVABSIOSPU-UHFFFAOYSA-N 1 1 208.283 -1.134 20 0 BAADMO CC[N@@H+](CC(N)=O)C[C@@](C)(O)C(=O)OC ZINC000231822002 385728124 /nfs/dbraw/zinc/72/81/24/385728124.db2.gz MYDSDJPXFCXGKI-SECBINFHSA-N 1 1 218.253 -1.282 20 0 BAADMO CC[N@H+](CC(N)=O)C[C@@](C)(O)C(=O)OC ZINC000231822002 385728119 /nfs/dbraw/zinc/72/81/19/385728119.db2.gz MYDSDJPXFCXGKI-SECBINFHSA-N 1 1 218.253 -1.282 20 0 BAADMO CC[N@@H+](CC(N)=O)C[C@](C)(O)C(=O)OC ZINC000231822004 385728923 /nfs/dbraw/zinc/72/89/23/385728923.db2.gz MYDSDJPXFCXGKI-VIFPVBQESA-N 1 1 218.253 -1.282 20 0 BAADMO CC[N@H+](CC(N)=O)C[C@](C)(O)C(=O)OC ZINC000231822004 385728922 /nfs/dbraw/zinc/72/89/22/385728922.db2.gz MYDSDJPXFCXGKI-VIFPVBQESA-N 1 1 218.253 -1.282 20 0 BAADMO CO[C@@H](C[NH3+])CC(=O)N1CCNCC1 ZINC000232112159 342786177 /nfs/dbraw/zinc/78/61/77/342786177.db2.gz LUNIXZCBDGNDDX-MRVPVSSYSA-N 1 1 201.270 -1.218 20 0 BAADMO CO[C@H](C[NH3+])CC(=O)N1CCNCC1 ZINC000232112161 342786162 /nfs/dbraw/zinc/78/61/62/342786162.db2.gz LUNIXZCBDGNDDX-QMMMGPOBSA-N 1 1 201.270 -1.218 20 0 BAADMO CC(C)(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232493889 388851812 /nfs/dbraw/zinc/85/18/12/388851812.db2.gz WNRCNIQMOJIJRF-HTQZYQBOSA-N 1 1 216.281 -1.062 20 0 BAADMO CC(C)(C)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232493929 487598684 /nfs/dbraw/zinc/59/86/84/487598684.db2.gz WNRCNIQMOJIJRF-YUMQZZPRSA-N 1 1 216.281 -1.062 20 0 BAADMO CC(C)N(C)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232645276 386550942 /nfs/dbraw/zinc/55/09/42/386550942.db2.gz HUBXPTJICHMVKJ-RKDXNWHRSA-N 1 1 216.281 -1.109 20 0 BAADMO CC(C)N(C)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232645447 386549516 /nfs/dbraw/zinc/54/95/16/386549516.db2.gz HUBXPTJICHMVKJ-IUCAKERBSA-N 1 1 216.281 -1.109 20 0 BAADMO CC(C)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232657351 388392367 /nfs/dbraw/zinc/39/23/67/388392367.db2.gz BBIGVGRLMWUECC-HTQZYQBOSA-N 1 1 202.254 -1.452 20 0 BAADMO CC(C)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232657498 388391909 /nfs/dbraw/zinc/39/19/09/388391909.db2.gz BBIGVGRLMWUECC-YUMQZZPRSA-N 1 1 202.254 -1.452 20 0 BAADMO CC(C)NS(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000232729155 325156538 /nfs/dbraw/zinc/15/65/38/325156538.db2.gz WHFVGCWGIWAZFF-MRVPVSSYSA-N 1 1 237.325 -1.193 20 0 BAADMO CC(C)NS(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000232729471 325156767 /nfs/dbraw/zinc/15/67/67/325156767.db2.gz WHFVGCWGIWAZFF-QMMMGPOBSA-N 1 1 237.325 -1.193 20 0 BAADMO CCCCNC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232978963 136230107 /nfs/dbraw/zinc/23/01/07/136230107.db2.gz VCAAYMHWQYDHAS-RKDXNWHRSA-N 1 1 216.281 -1.060 20 0 BAADMO CCCCNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232979153 136230180 /nfs/dbraw/zinc/23/01/80/136230180.db2.gz VCAAYMHWQYDHAS-IUCAKERBSA-N 1 1 216.281 -1.060 20 0 BAADMO CCCNC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000233017724 386472259 /nfs/dbraw/zinc/47/22/59/386472259.db2.gz RUVCLIQMEXYRLP-HTQZYQBOSA-N 1 1 202.254 -1.450 20 0 BAADMO CCCNC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233017925 386472943 /nfs/dbraw/zinc/47/29/43/386472943.db2.gz RUVCLIQMEXYRLP-YUMQZZPRSA-N 1 1 202.254 -1.450 20 0 BAADMO CCCNC(=O)[C@@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233067261 355360429 /nfs/dbraw/zinc/36/04/29/355360429.db2.gz JJRGKRKYMHPTQC-VGMNWLOBSA-N 1 1 216.281 -1.062 20 0 BAADMO CCCNC(=O)[C@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233074282 386821177 /nfs/dbraw/zinc/82/11/77/386821177.db2.gz JJRGKRKYMHPTQC-CIUDSAMLSA-N 1 1 216.281 -1.062 20 0 BAADMO CCCNS(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000233094510 355376243 /nfs/dbraw/zinc/37/62/43/355376243.db2.gz YXIQLAGTFZANNT-MRVPVSSYSA-N 1 1 237.325 -1.191 20 0 BAADMO CCCNS(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000233094765 355376127 /nfs/dbraw/zinc/37/61/27/355376127.db2.gz YXIQLAGTFZANNT-QMMMGPOBSA-N 1 1 237.325 -1.191 20 0 BAADMO CCN(C)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000233430860 384344659 /nfs/dbraw/zinc/34/46/59/384344659.db2.gz XWUSKSVLUCJHSO-HTQZYQBOSA-N 1 1 202.254 -1.498 20 0 BAADMO CCN(C)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233431029 384343058 /nfs/dbraw/zinc/34/30/58/384343058.db2.gz XWUSKSVLUCJHSO-YUMQZZPRSA-N 1 1 202.254 -1.498 20 0 BAADMO CCN(CC)C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000233444088 384346752 /nfs/dbraw/zinc/34/67/52/384346752.db2.gz IBUYNKZQSFBSOV-RKDXNWHRSA-N 1 1 216.281 -1.108 20 0 BAADMO CCN(CC)C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233444324 384345858 /nfs/dbraw/zinc/34/58/58/384345858.db2.gz IBUYNKZQSFBSOV-IUCAKERBSA-N 1 1 216.281 -1.108 20 0 BAADMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233490706 342868183 /nfs/dbraw/zinc/86/81/83/342868183.db2.gz WZJDHGNJYWIPGT-CSMHCCOUSA-N 1 1 245.279 -1.742 20 0 BAADMO CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000233501391 135033809 /nfs/dbraw/zinc/03/38/09/135033809.db2.gz WZJDHGNJYWIPGT-FXQIFTODSA-N 1 1 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BAADMO CC[N@H+]1CCO[C@H](C(=O)NCCOCCO)C1 ZINC000366499359 170005598 /nfs/dbraw/zinc/00/55/98/170005598.db2.gz YWSFWPMTOSWYIV-JTQLQIEISA-N 1 1 246.307 -1.168 20 0 BAADMO CC[N@@H+]1CCO[C@H](C(=O)NCCOCCO)C1 ZINC000366499359 170005597 /nfs/dbraw/zinc/00/55/97/170005597.db2.gz YWSFWPMTOSWYIV-JTQLQIEISA-N 1 1 246.307 -1.168 20 0 BAADMO CC[N@H+]1CCO[C@@H](C(=O)NCCOCCO)C1 ZINC000366499360 170003606 /nfs/dbraw/zinc/00/36/06/170003606.db2.gz YWSFWPMTOSWYIV-SNVBAGLBSA-N 1 1 246.307 -1.168 20 0 BAADMO CC[N@@H+]1CCO[C@@H](C(=O)NCCOCCO)C1 ZINC000366499360 170003604 /nfs/dbraw/zinc/00/36/04/170003604.db2.gz YWSFWPMTOSWYIV-SNVBAGLBSA-N 1 1 246.307 -1.168 20 0 BAADMO O=C([C@@H]1CNCCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366526347 386738345 /nfs/dbraw/zinc/73/83/45/386738345.db2.gz OBCDNOYDLBQNSU-AEJSXWLSSA-N 1 1 225.292 -1.205 20 0 BAADMO O=C([C@H]1CNCCO1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366526348 386737573 /nfs/dbraw/zinc/73/75/73/386737573.db2.gz OBCDNOYDLBQNSU-IVZWLZJFSA-N 1 1 225.292 -1.205 20 0 BAADMO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CNCCO1 ZINC000366555728 182229673 /nfs/dbraw/zinc/22/96/73/182229673.db2.gz NEEKGRZTOCMQFL-CIUDSAMLSA-N 1 1 231.271 -1.209 20 0 BAADMO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CNCCO1 ZINC000366555729 182229176 /nfs/dbraw/zinc/22/91/76/182229176.db2.gz NEEKGRZTOCMQFL-XHNCKOQMSA-N 1 1 231.271 -1.209 20 0 BAADMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC(O)C1 ZINC000367023271 136039873 /nfs/dbraw/zinc/03/98/73/136039873.db2.gz XAKADJMSCBLEGT-JTQLQIEISA-N 1 1 225.292 -1.421 20 0 BAADMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC(O)C1 ZINC000367023273 136039930 /nfs/dbraw/zinc/03/99/30/136039930.db2.gz XAKADJMSCBLEGT-SNVBAGLBSA-N 1 1 225.292 -1.421 20 0 BAADMO CNS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000367150908 387177770 /nfs/dbraw/zinc/17/77/70/387177770.db2.gz KMFNNDVDJYOIHG-OCAPTIKFSA-N 1 1 219.310 -1.056 20 0 BAADMO CNS(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367560084 387728435 /nfs/dbraw/zinc/72/84/35/387728435.db2.gz TUBFTMLZRFVMSI-BDAKNGLRSA-N 1 1 249.336 -1.097 20 0 BAADMO CNS(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367560085 387727995 /nfs/dbraw/zinc/72/79/95/387727995.db2.gz TUBFTMLZRFVMSI-DTWKUNHWSA-N 1 1 249.336 -1.097 20 0 BAADMO CNS(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000367560086 387728613 /nfs/dbraw/zinc/72/86/13/387728613.db2.gz TUBFTMLZRFVMSI-IUCAKERBSA-N 1 1 249.336 -1.097 20 0 BAADMO CNS(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000367560087 387726893 /nfs/dbraw/zinc/72/68/93/387726893.db2.gz TUBFTMLZRFVMSI-RKDXNWHRSA-N 1 1 249.336 -1.097 20 0 BAADMO NS(=O)(=O)N1CCC[N@@H+](CCCO)CC1 ZINC000369138898 387028628 /nfs/dbraw/zinc/02/86/28/387028628.db2.gz XYTDFAJNHCXRRW-UHFFFAOYSA-N 1 1 237.325 -1.420 20 0 BAADMO C[C@@H](O)C[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000369388630 175972146 /nfs/dbraw/zinc/97/21/46/175972146.db2.gz HCVFUJSHMJHYJB-MRVPVSSYSA-N 1 1 237.325 -1.422 20 0 BAADMO C[C@H](O)C[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000369388631 387041124 /nfs/dbraw/zinc/04/11/24/387041124.db2.gz HCVFUJSHMJHYJB-QMMMGPOBSA-N 1 1 237.325 -1.422 20 0 BAADMO CCNC(=O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000369943707 170063782 /nfs/dbraw/zinc/06/37/82/170063782.db2.gz LTYXKGBUSUUQPA-SECBINFHSA-N 1 1 243.307 -1.041 20 0 BAADMO CCNC(=O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000369943707 170063780 /nfs/dbraw/zinc/06/37/80/170063780.db2.gz LTYXKGBUSUUQPA-SECBINFHSA-N 1 1 243.307 -1.041 20 0 BAADMO CCNC(=O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000369943708 170062849 /nfs/dbraw/zinc/06/28/49/170062849.db2.gz LTYXKGBUSUUQPA-VIFPVBQESA-N 1 1 243.307 -1.041 20 0 BAADMO CCNC(=O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000369943708 170062847 /nfs/dbraw/zinc/06/28/47/170062847.db2.gz LTYXKGBUSUUQPA-VIFPVBQESA-N 1 1 243.307 -1.041 20 0 BAADMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000370084283 387086920 /nfs/dbraw/zinc/08/69/20/387086920.db2.gz YUWXITNYVYJBIX-MRVPVSSYSA-N 1 1 222.310 -1.008 20 0 BAADMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCO)C1 ZINC000370084283 387086916 /nfs/dbraw/zinc/08/69/16/387086916.db2.gz YUWXITNYVYJBIX-MRVPVSSYSA-N 1 1 222.310 -1.008 20 0 BAADMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCO)C1 ZINC000370084284 387087365 /nfs/dbraw/zinc/08/73/65/387087365.db2.gz YUWXITNYVYJBIX-QMMMGPOBSA-N 1 1 222.310 -1.008 20 0 BAADMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCO)C1 ZINC000370084284 387087362 /nfs/dbraw/zinc/08/73/62/387087362.db2.gz YUWXITNYVYJBIX-QMMMGPOBSA-N 1 1 222.310 -1.008 20 0 BAADMO COC(=O)[C@H](C)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000370161110 387094500 /nfs/dbraw/zinc/09/45/00/387094500.db2.gz JLIAAENNKKVULG-HTQZYQBOSA-N 1 1 230.264 -1.018 20 0 BAADMO COC(=O)[C@H](C)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000370161110 387094496 /nfs/dbraw/zinc/09/44/96/387094496.db2.gz JLIAAENNKKVULG-HTQZYQBOSA-N 1 1 230.264 -1.018 20 0 BAADMO COC(=O)[C@@H](C)C[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000370161111 387095359 /nfs/dbraw/zinc/09/53/59/387095359.db2.gz JLIAAENNKKVULG-JGVFFNPUSA-N 1 1 230.264 -1.018 20 0 BAADMO COC(=O)[C@@H](C)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000370161111 387095357 /nfs/dbraw/zinc/09/53/57/387095357.db2.gz JLIAAENNKKVULG-JGVFFNPUSA-N 1 1 230.264 -1.018 20 0 BAADMO COC(=O)[C@H](C)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000370161112 387094619 /nfs/dbraw/zinc/09/46/19/387094619.db2.gz JLIAAENNKKVULG-SFYZADRCSA-N 1 1 230.264 -1.018 20 0 BAADMO COC(=O)[C@H](C)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000370161112 387094618 /nfs/dbraw/zinc/09/46/18/387094618.db2.gz JLIAAENNKKVULG-SFYZADRCSA-N 1 1 230.264 -1.018 20 0 BAADMO COC(=O)[C@@H](C)C[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000370161113 387095522 /nfs/dbraw/zinc/09/55/22/387095522.db2.gz JLIAAENNKKVULG-YUMQZZPRSA-N 1 1 230.264 -1.018 20 0 BAADMO COC(=O)[C@@H](C)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000370161113 387095512 /nfs/dbraw/zinc/09/55/12/387095512.db2.gz JLIAAENNKKVULG-YUMQZZPRSA-N 1 1 230.264 -1.018 20 0 BAADMO C[C@H](CO)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371241673 388863914 /nfs/dbraw/zinc/86/39/14/388863914.db2.gz JPGOXYZSEFSXFL-NXEZZACHSA-N 1 1 227.308 -1.127 20 0 BAADMO C[C@@H](CO)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371241676 388863937 /nfs/dbraw/zinc/86/39/37/388863937.db2.gz JPGOXYZSEFSXFL-UWVGGRQHSA-N 1 1 227.308 -1.127 20 0 BAADMO C[C@@H](CO)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371241678 388864056 /nfs/dbraw/zinc/86/40/56/388864056.db2.gz JPGOXYZSEFSXFL-VHSXEESVSA-N 1 1 227.308 -1.127 20 0 BAADMO C[C@H](CO)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371241679 388863786 /nfs/dbraw/zinc/86/37/86/388863786.db2.gz JPGOXYZSEFSXFL-ZJUUUORDSA-N 1 1 227.308 -1.127 20 0 BAADMO NC(=O)NC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372299591 181254789 /nfs/dbraw/zinc/25/47/89/181254789.db2.gz BALOIOOZCLKRGT-LURJTMIESA-N 1 1 213.237 -1.362 20 0 BAADMO NC(=O)NC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372299591 181254788 /nfs/dbraw/zinc/25/47/88/181254788.db2.gz BALOIOOZCLKRGT-LURJTMIESA-N 1 1 213.237 -1.362 20 0 BAADMO NC(=O)NC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372299592 181254105 /nfs/dbraw/zinc/25/41/05/181254105.db2.gz BALOIOOZCLKRGT-ZCFIWIBFSA-N 1 1 213.237 -1.362 20 0 BAADMO NC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372299592 181254104 /nfs/dbraw/zinc/25/41/04/181254104.db2.gz BALOIOOZCLKRGT-ZCFIWIBFSA-N 1 1 213.237 -1.362 20 0 BAADMO CNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372357881 173287216 /nfs/dbraw/zinc/28/72/16/173287216.db2.gz MBARLEIJVONEHE-SSDOTTSWSA-N 1 1 227.264 -1.101 20 0 BAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372357881 173287215 /nfs/dbraw/zinc/28/72/15/173287215.db2.gz MBARLEIJVONEHE-SSDOTTSWSA-N 1 1 227.264 -1.101 20 0 BAADMO CNC(=O)NC(=O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372357886 173287143 /nfs/dbraw/zinc/28/71/43/173287143.db2.gz MBARLEIJVONEHE-ZETCQYMHSA-N 1 1 227.264 -1.101 20 0 BAADMO CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372357886 173287142 /nfs/dbraw/zinc/28/71/42/173287142.db2.gz MBARLEIJVONEHE-ZETCQYMHSA-N 1 1 227.264 -1.101 20 0 BAADMO COC(=O)[C@]12C[N@@H+](CC(N)=O)C[C@H]1COCC2 ZINC000373603595 385633103 /nfs/dbraw/zinc/63/31/03/385633103.db2.gz KDJKUEOSPMCBMU-GZMMTYOYSA-N 1 1 242.275 -1.017 20 0 BAADMO NS(=O)(=O)N1CCC[N@H+]([C@@H]2CCOC2)CC1 ZINC000376202528 398026401 /nfs/dbraw/zinc/02/64/01/398026401.db2.gz BDLSPNDFDDUDQN-SECBINFHSA-N 1 1 249.336 -1.014 20 0 BAADMO NS(=O)(=O)N1CCC[N@H+]([C@H]2CCOC2)CC1 ZINC000376202529 398026268 /nfs/dbraw/zinc/02/62/68/398026268.db2.gz BDLSPNDFDDUDQN-VIFPVBQESA-N 1 1 249.336 -1.014 20 0 BAADMO O=C(NCCCO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000376805383 182171116 /nfs/dbraw/zinc/17/11/16/182171116.db2.gz VALIRVSCJYRNTI-JTQLQIEISA-N 1 1 227.308 -1.125 20 0 BAADMO O=C(NCCCO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000376805386 182171122 /nfs/dbraw/zinc/17/11/22/182171122.db2.gz VALIRVSCJYRNTI-SNVBAGLBSA-N 1 1 227.308 -1.125 20 0 BAADMO O=C(Cn1cnnn1)N1CC[NH2+]C[C@H]1C(F)F ZINC000377580448 182074075 /nfs/dbraw/zinc/07/40/75/182074075.db2.gz CHAMGVUXZQTMFX-LURJTMIESA-N 1 1 246.221 -1.261 20 0 BAADMO O=C(Cn1cnnn1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377580449 182073677 /nfs/dbraw/zinc/07/36/77/182073677.db2.gz CHAMGVUXZQTMFX-ZCFIWIBFSA-N 1 1 246.221 -1.261 20 0 BAADMO CNC(=O)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 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C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C(N)=O ZINC000614075075 363715822 /nfs/dbraw/zinc/71/58/22/363715822.db2.gz ZTWZBHWLYQWWQC-SFYZADRCSA-N 1 1 229.280 -1.567 20 0 BAADMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C(N)=O ZINC000614075076 363716013 /nfs/dbraw/zinc/71/60/13/363716013.db2.gz ZTWZBHWLYQWWQC-YUMQZZPRSA-N 1 1 229.280 -1.567 20 0 BAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C(N)=O)C1 ZINC000614075961 363716347 /nfs/dbraw/zinc/71/63/47/363716347.db2.gz IADRTYIXVXRQTQ-HTQZYQBOSA-N 1 1 229.280 -1.709 20 0 BAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](O)C(N)=O)C1 ZINC000614075962 363716665 /nfs/dbraw/zinc/71/66/65/363716665.db2.gz IADRTYIXVXRQTQ-JGVFFNPUSA-N 1 1 229.280 -1.709 20 0 BAADMO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](O)C(N)=O)C1 ZINC000614075963 363716635 /nfs/dbraw/zinc/71/66/35/363716635.db2.gz IADRTYIXVXRQTQ-SFYZADRCSA-N 1 1 229.280 -1.709 20 0 BAADMO C[C@H]1CC[N@@H+](CC(=O)NC[C@H](O)C(N)=O)C1 ZINC000614075965 363716982 /nfs/dbraw/zinc/71/69/82/363716982.db2.gz IADRTYIXVXRQTQ-YUMQZZPRSA-N 1 1 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/nfs/dbraw/zinc/20/11/21/370201121.db2.gz BUGHLABTRHZLIZ-ZETCQYMHSA-N 1 1 210.299 -1.152 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@H](O)C[C@H]1C ZINC000621270943 370202889 /nfs/dbraw/zinc/20/28/89/370202889.db2.gz QCZQSSFKGBUENJ-HTQZYQBOSA-N 1 1 222.310 -1.009 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000621270944 370203018 /nfs/dbraw/zinc/20/30/18/370203018.db2.gz QCZQSSFKGBUENJ-JGVFFNPUSA-N 1 1 222.310 -1.009 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000621270945 370202560 /nfs/dbraw/zinc/20/25/60/370202560.db2.gz QCZQSSFKGBUENJ-SFYZADRCSA-N 1 1 222.310 -1.009 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000621270946 370203192 /nfs/dbraw/zinc/20/31/92/370203192.db2.gz QCZQSSFKGBUENJ-YUMQZZPRSA-N 1 1 222.310 -1.009 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000621272640 370203990 /nfs/dbraw/zinc/20/39/90/370203990.db2.gz YQQFCJRHTGBVKJ-HTQZYQBOSA-N 1 1 222.310 -1.152 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000621272641 370203793 /nfs/dbraw/zinc/20/37/93/370203793.db2.gz YQQFCJRHTGBVKJ-JGVFFNPUSA-N 1 1 222.310 -1.152 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000621272642 370203747 /nfs/dbraw/zinc/20/37/47/370203747.db2.gz YQQFCJRHTGBVKJ-SFYZADRCSA-N 1 1 222.310 -1.152 20 0 BAADMO CNS(=O)(=O)CC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000621272643 370204193 /nfs/dbraw/zinc/20/41/93/370204193.db2.gz YQQFCJRHTGBVKJ-YUMQZZPRSA-N 1 1 222.310 -1.152 20 0 BAADMO CNS(=O)(=O)CC[N@@H+](C)C1CC(O)C1 ZINC000621279612 370211104 /nfs/dbraw/zinc/21/11/04/370211104.db2.gz ZGTRUEGPPXDMID-UHFFFAOYSA-N 1 1 222.310 -1.009 20 0 BAADMO CNS(=O)(=O)CC[N@H+](C)C1CC(O)C1 ZINC000621279612 370211102 /nfs/dbraw/zinc/21/11/02/370211102.db2.gz ZGTRUEGPPXDMID-UHFFFAOYSA-N 1 1 222.310 -1.009 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000621290000 370218019 /nfs/dbraw/zinc/21/80/19/370218019.db2.gz XQGCVJDCVGUYQC-SECBINFHSA-N 1 1 249.336 -1.267 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000621290001 370217789 /nfs/dbraw/zinc/21/77/89/370217789.db2.gz XQGCVJDCVGUYQC-VIFPVBQESA-N 1 1 249.336 -1.267 20 0 BAADMO CNS(=O)(=O)CC[N@@H+](C)CCOCCO ZINC000621290225 370218705 /nfs/dbraw/zinc/21/87/05/370218705.db2.gz CGQNBQFBTHNUGF-UHFFFAOYSA-N 1 1 240.325 -1.524 20 0 BAADMO CNS(=O)(=O)CC[N@H+](C)CCOCCO ZINC000621290225 370218700 /nfs/dbraw/zinc/21/87/00/370218700.db2.gz CGQNBQFBTHNUGF-UHFFFAOYSA-N 1 1 240.325 -1.524 20 0 BAADMO CNS(=O)(=O)CC[N@@H+](C)CCCO ZINC000621290524 370218659 /nfs/dbraw/zinc/21/86/59/370218659.db2.gz MUPUSOPDZWFDOR-UHFFFAOYSA-N 1 1 210.299 -1.150 20 0 BAADMO CNS(=O)(=O)CC[N@H+](C)CCCO ZINC000621290524 370218653 /nfs/dbraw/zinc/21/86/53/370218653.db2.gz MUPUSOPDZWFDOR-UHFFFAOYSA-N 1 1 210.299 -1.150 20 0 BAADMO CNS(=O)(=O)CC[N@@H+](C)C1(CO)CC1 ZINC000621294809 370220549 /nfs/dbraw/zinc/22/05/49/370220549.db2.gz NNPMYNUCYHVJFE-UHFFFAOYSA-N 1 1 222.310 -1.008 20 0 BAADMO CNS(=O)(=O)CC[N@H+](C)C1(CO)CC1 ZINC000621294809 370220542 /nfs/dbraw/zinc/22/05/42/370220542.db2.gz NNPMYNUCYHVJFE-UHFFFAOYSA-N 1 1 222.310 -1.008 20 0 BAADMO CNS(=O)(=O)CC[N@@H+](C)CCC(N)=O ZINC000621294955 370220483 /nfs/dbraw/zinc/22/04/83/370220483.db2.gz SZUGHQFNFZRARL-UHFFFAOYSA-N 1 1 223.298 -1.657 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000621295724 370221888 /nfs/dbraw/zinc/22/18/88/370221888.db2.gz WGKYDKFTYNDDDQ-MRVPVSSYSA-N 1 1 249.336 -1.267 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000621295725 370221621 /nfs/dbraw/zinc/22/16/21/370221621.db2.gz WGKYDKFTYNDDDQ-QMMMGPOBSA-N 1 1 249.336 -1.267 20 0 BAADMO CNS(=O)(=O)CC[N@@H+](CCO)C[C@@H](C)O ZINC000621296376 370223595 /nfs/dbraw/zinc/22/35/95/370223595.db2.gz QCFOHFIEFCRLQD-MRVPVSSYSA-N 1 1 240.325 -1.789 20 0 BAADMO CNS(=O)(=O)CC[N@H+](CCO)C[C@@H](C)O ZINC000621296376 370223591 /nfs/dbraw/zinc/22/35/91/370223591.db2.gz QCFOHFIEFCRLQD-MRVPVSSYSA-N 1 1 240.325 -1.789 20 0 BAADMO CNS(=O)(=O)CC[N@@H+](CCO)C[C@H](C)O ZINC000621296377 370223781 /nfs/dbraw/zinc/22/37/81/370223781.db2.gz QCFOHFIEFCRLQD-QMMMGPOBSA-N 1 1 240.325 -1.789 20 0 BAADMO CNS(=O)(=O)CC[N@H+](CCO)C[C@H](C)O ZINC000621296377 370223777 /nfs/dbraw/zinc/22/37/77/370223777.db2.gz QCFOHFIEFCRLQD-QMMMGPOBSA-N 1 1 240.325 -1.789 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000621299455 370227831 /nfs/dbraw/zinc/22/78/31/370227831.db2.gz DDINPVWHBSKDOZ-HTQZYQBOSA-N 1 1 238.309 -1.773 20 0 BAADMO CNS(=O)(=O)CC[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000621299455 370227827 /nfs/dbraw/zinc/22/78/27/370227827.db2.gz DDINPVWHBSKDOZ-HTQZYQBOSA-N 1 1 238.309 -1.773 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000621299766 370227967 /nfs/dbraw/zinc/22/79/67/370227967.db2.gz OUWNXFLTEOODDO-HTQZYQBOSA-N 1 1 222.310 -1.009 20 0 BAADMO CNS(=O)(=O)CC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000621302189 370232089 /nfs/dbraw/zinc/23/20/89/370232089.db2.gz WOZOHLLYQSPCTO-UHFFFAOYSA-N 1 1 249.336 -1.254 20 0 BAADMO CNS(=O)(=O)CC[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC000621302840 370232789 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346378103 /nfs/dbraw/zinc/37/81/03/346378103.db2.gz MQCCZDDCOVCSKE-BBBLOLIVSA-N 1 1 228.292 -1.060 20 0 BAADMO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1C[C@@H](O)C1 ZINC000636291787 346381138 /nfs/dbraw/zinc/38/11/38/346381138.db2.gz MQCCZDDCOVCSKE-LPEHRKFASA-N 1 1 228.292 -1.060 20 0 BAADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CO ZINC000636317032 346391324 /nfs/dbraw/zinc/39/13/24/346391324.db2.gz HQAPUYRPTAMGFK-UHFFFAOYSA-N 1 1 229.280 -1.789 20 0 BAADMO C[C@@H](O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317051 346391328 /nfs/dbraw/zinc/39/13/28/346391328.db2.gz IFZLYPHXYZUKTG-SECBINFHSA-N 1 1 243.307 -1.400 20 0 BAADMO C[C@H](O)C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000636317052 346391235 /nfs/dbraw/zinc/39/12/35/346391235.db2.gz IFZLYPHXYZUKTG-VIFPVBQESA-N 1 1 243.307 -1.400 20 0 BAADMO C[C@@]1(C(=O)N2CCNCC2)C[NH2+]CCO1 ZINC000637801753 351633978 /nfs/dbraw/zinc/63/39/78/351633978.db2.gz OWJYVWWYPFRRKS-JTQLQIEISA-N 1 1 213.281 -1.203 20 0 BAADMO C[C@]1(C(=O)N2CCNCC2)C[NH2+]CCO1 ZINC000637801758 351633666 /nfs/dbraw/zinc/63/36/66/351633666.db2.gz OWJYVWWYPFRRKS-SNVBAGLBSA-N 1 1 213.281 -1.203 20 0 BAADMO C[C@]1(C(=O)N2CC[C@@H]([NH3+])C2)CNCCO1 ZINC000637802482 351636446 /nfs/dbraw/zinc/63/64/46/351636446.db2.gz QQLUWFPNMRAKAG-PSASIEDQSA-N 1 1 213.281 -1.076 20 0 BAADMO C[C@@]1(C(=O)N2CC[C@@H]([NH3+])C2)CNCCO1 ZINC000637802483 351636351 /nfs/dbraw/zinc/63/63/51/351636351.db2.gz QQLUWFPNMRAKAG-SCZZXKLOSA-N 1 1 213.281 -1.076 20 0 BAADMO C[C@]1(C(=O)NCCC[NH3+])CNCCO1 ZINC000637802809 351638037 /nfs/dbraw/zinc/63/80/37/351638037.db2.gz UKCPGEXKZUXFMS-SECBINFHSA-N 1 1 201.270 -1.170 20 0 BAADMO C[C@@]1(C(=O)NCCC[NH3+])CNCCO1 ZINC000637802814 351638122 /nfs/dbraw/zinc/63/81/22/351638122.db2.gz UKCPGEXKZUXFMS-VIFPVBQESA-N 1 1 201.270 -1.170 20 0 BAADMO CC[NH2+][C@H](C)C(=O)NCC(=O)N1CCNCC1 ZINC000637811205 351652103 /nfs/dbraw/zinc/65/21/03/351652103.db2.gz RPUWFGZUSHQBHX-SECBINFHSA-N 1 1 242.323 -1.468 20 0 BAADMO CC[NH2+][C@@H](C)C(=O)NCC(=O)N1CCNCC1 ZINC000637811206 351652255 /nfs/dbraw/zinc/65/22/55/351652255.db2.gz RPUWFGZUSHQBHX-VIFPVBQESA-N 1 1 242.323 -1.468 20 0 BAADMO C[C@H]([NH3+])CC(=O)N(C)CC(=O)N1CCNCC1 ZINC000637811387 351653289 /nfs/dbraw/zinc/65/32/89/351653289.db2.gz TYVYTMXFXYBLSK-VIFPVBQESA-N 1 1 242.323 -1.386 20 0 BAADMO C[C@H](C(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000637812046 351647543 /nfs/dbraw/zinc/64/75/43/351647543.db2.gz VOGANCFSRUWZHY-SNVBAGLBSA-N 1 1 228.340 -1.042 20 0 BAADMO C[C@]1(C(=O)N[C@@H]2CC[NH2+]C2)CNCCO1 ZINC000637812882 351649684 /nfs/dbraw/zinc/64/96/84/351649684.db2.gz ZKIUWVNDQACXCO-PSASIEDQSA-N 1 1 213.281 -1.157 20 0 BAADMO C[C@@]1(C(=O)N[C@@H]2CC[NH2+]C2)CNCCO1 ZINC000637812884 351649250 /nfs/dbraw/zinc/64/92/50/351649250.db2.gz ZKIUWVNDQACXCO-SCZZXKLOSA-N 1 1 213.281 -1.157 20 0 BAADMO C[C@]1(C(=O)N[C@H]2CC[NH2+]C2)CNCCO1 ZINC000637812885 351649371 /nfs/dbraw/zinc/64/93/71/351649371.db2.gz ZKIUWVNDQACXCO-WCBMZHEXSA-N 1 1 213.281 -1.157 20 0 BAADMO C[C@@]1(C(=O)N[C@H]2CC[NH2+]C2)CNCCO1 ZINC000637812887 351649355 /nfs/dbraw/zinc/64/93/55/351649355.db2.gz ZKIUWVNDQACXCO-WPRPVWTQSA-N 1 1 213.281 -1.157 20 0 BAADMO C[C@H](C(=O)NCC(=O)N1CC[NH2+]CC1)N(C)C ZINC000637813244 351650115 /nfs/dbraw/zinc/65/01/15/351650115.db2.gz NLAULDJSZZXCTI-SECBINFHSA-N 1 1 242.323 -1.516 20 0 BAADMO C[C@H]1CNCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637817617 351662771 /nfs/dbraw/zinc/66/27/71/351662771.db2.gz VXMAACAJZZRQTR-JTQLQIEISA-N 1 1 226.324 -1.288 20 0 BAADMO C[C@@H]1CNCCN1C(=O)CN1CC[NH2+]CC1 ZINC000637817618 351662515 /nfs/dbraw/zinc/66/25/15/351662515.db2.gz VXMAACAJZZRQTR-SNVBAGLBSA-N 1 1 226.324 -1.288 20 0 BAADMO C[C@]1(C(=O)N2CC[C@H]([NH3+])C2)CNCCO1 ZINC000637821248 351659813 /nfs/dbraw/zinc/65/98/13/351659813.db2.gz QQLUWFPNMRAKAG-WCBMZHEXSA-N 1 1 213.281 -1.076 20 0 BAADMO C[C@@]1(C(=O)N2CC[C@H]([NH3+])C2)CNCCO1 ZINC000637821249 351659417 /nfs/dbraw/zinc/65/94/17/351659417.db2.gz QQLUWFPNMRAKAG-WPRPVWTQSA-N 1 1 213.281 -1.076 20 0 BAADMO C[NH2+]CCNC(=O)[C@@]1(C)CNCCO1 ZINC000637823129 351668058 /nfs/dbraw/zinc/66/80/58/351668058.db2.gz BSTQKAMNPJMTID-SECBINFHSA-N 1 1 201.270 -1.300 20 0 BAADMO C[NH2+]CCNC(=O)[C@]1(C)CNCCO1 ZINC000637823130 351668047 /nfs/dbraw/zinc/66/80/47/351668047.db2.gz BSTQKAMNPJMTID-VIFPVBQESA-N 1 1 201.270 -1.300 20 0 BAADMO C[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCN1 ZINC000637842211 351698858 /nfs/dbraw/zinc/69/88/58/351698858.db2.gz RRWZSXNXZCPILA-JTQLQIEISA-N 1 1 226.324 -1.288 20 0 BAADMO C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CCN1 ZINC000637842213 351698884 /nfs/dbraw/zinc/69/88/84/351698884.db2.gz RRWZSXNXZCPILA-SNVBAGLBSA-N 1 1 226.324 -1.288 20 0 BAADMO C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCN1 ZINC000637842745 351697752 /nfs/dbraw/zinc/69/77/52/351697752.db2.gz XEJBNSBAORIPIR-HRDYMLBCSA-N 1 1 213.281 -1.077 20 0 BAADMO C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CCN1 ZINC000637842747 351697975 /nfs/dbraw/zinc/69/79/75/351697975.db2.gz XEJBNSBAORIPIR-XHNCKOQMSA-N 1 1 213.281 -1.077 20 0 BAADMO CN1CCN(C(=O)Cc2ncn[nH]2)[C@H](C[NH3+])C1 ZINC000637865705 351725859 /nfs/dbraw/zinc/72/58/59/351725859.db2.gz DGKNLXFTZINTRD-MRVPVSSYSA-N 1 1 238.295 -1.552 20 0 BAADMO CN1CCN(C(=O)Cc2ncn[nH]2)[C@@H](C[NH3+])C1 ZINC000637865706 351725609 /nfs/dbraw/zinc/72/56/09/351725609.db2.gz DGKNLXFTZINTRD-QMMMGPOBSA-N 1 1 238.295 -1.552 20 0 BAADMO CO[C@@]1(C[N@H+]2CCO[C@H](C(N)=O)C2)CCOC1 ZINC000637990043 351866816 /nfs/dbraw/zinc/86/68/16/351866816.db2.gz DWLNUQHGAGCTEI-GXSJLCMTSA-N 1 1 244.291 -1.022 20 0 BAADMO CO[C@]1(C[N@H+]2CCO[C@@H](C(N)=O)C2)CCOC1 ZINC000637990044 351866878 /nfs/dbraw/zinc/86/68/78/351866878.db2.gz DWLNUQHGAGCTEI-KOLCDFICSA-N 1 1 244.291 -1.022 20 0 BAADMO CO[C@@]1(C[N@H+]2CCO[C@@H](C(N)=O)C2)CCOC1 ZINC000637990045 351867071 /nfs/dbraw/zinc/86/70/71/351867071.db2.gz DWLNUQHGAGCTEI-MWLCHTKSSA-N 1 1 244.291 -1.022 20 0 BAADMO CO[C@]1(C[N@H+]2CCO[C@H](C(N)=O)C2)CCOC1 ZINC000637990046 351866781 /nfs/dbraw/zinc/86/67/81/351866781.db2.gz DWLNUQHGAGCTEI-ONGXEEELSA-N 1 1 244.291 -1.022 20 0 BAADMO CO[C@]1(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CCOC1 ZINC000638095795 644558369 /nfs/dbraw/zinc/55/83/69/644558369.db2.gz VWAUBDPVHMDJDK-AEJSXWLSSA-N 1 1 217.265 -1.171 20 0 BAADMO CO[C@@]1(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CCOC1 ZINC000638095808 644557956 /nfs/dbraw/zinc/55/79/56/644557956.db2.gz VWAUBDPVHMDJDK-KXUCPTDWSA-N 1 1 217.265 -1.171 20 0 BAADMO COCC[NH2+]CCNC(=O)[C@@]1(C)CNCCO1 ZINC000638153618 352013577 /nfs/dbraw/zinc/01/35/77/352013577.db2.gz QNXVPGCKBYNAJD-LLVKDONJSA-N 1 1 245.323 -1.283 20 0 BAADMO COCC[NH2+]CCNC(=O)[C@]1(C)CNCCO1 ZINC000638153620 352013711 /nfs/dbraw/zinc/01/37/11/352013711.db2.gz QNXVPGCKBYNAJD-NSHDSACASA-N 1 1 245.323 -1.283 20 0 BAADMO C[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CNCCO1 ZINC000638170966 352038068 /nfs/dbraw/zinc/03/80/68/352038068.db2.gz IRYXPTHYMLFQOV-GXSJLCMTSA-N 1 1 243.307 -1.449 20 0 BAADMO C[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CNCCO1 ZINC000638170969 352038448 /nfs/dbraw/zinc/03/84/48/352038448.db2.gz IRYXPTHYMLFQOV-KOLCDFICSA-N 1 1 243.307 -1.449 20 0 BAADMO C[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CNCCO1 ZINC000638170970 352037739 /nfs/dbraw/zinc/03/77/39/352037739.db2.gz IRYXPTHYMLFQOV-MWLCHTKSSA-N 1 1 243.307 -1.449 20 0 BAADMO C[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CNCCO1 ZINC000638170973 352037836 /nfs/dbraw/zinc/03/78/36/352037836.db2.gz IRYXPTHYMLFQOV-ONGXEEELSA-N 1 1 243.307 -1.449 20 0 BAADMO C[C@H](C[NH3+])NC(=O)[C@]1(C)CNCCO1 ZINC000638172079 352039728 /nfs/dbraw/zinc/03/97/28/352039728.db2.gz UIESMWHJVZMHQM-APPZFPTMSA-N 1 1 201.270 -1.172 20 0 BAADMO C[C@H](C[NH3+])NC(=O)[C@@]1(C)CNCCO1 ZINC000638172080 352039993 /nfs/dbraw/zinc/03/99/93/352039993.db2.gz UIESMWHJVZMHQM-VXNVDRBHSA-N 1 1 201.270 -1.172 20 0 BAADMO C[C@@H]([NH3+])CNC(=O)[C@]1(C)CNCCO1 ZINC000638210198 352072972 /nfs/dbraw/zinc/07/29/72/352072972.db2.gz FRBPRRXJFUXTQZ-APPZFPTMSA-N 1 1 201.270 -1.172 20 0 BAADMO C[C@H]([NH3+])CNC(=O)[C@]1(C)CNCCO1 ZINC000638210199 352072809 /nfs/dbraw/zinc/07/28/09/352072809.db2.gz FRBPRRXJFUXTQZ-CBAPKCEASA-N 1 1 201.270 -1.172 20 0 BAADMO C[C@H]([NH3+])CNC(=O)[C@@]1(C)CNCCO1 ZINC000638210200 352072926 /nfs/dbraw/zinc/07/29/26/352072926.db2.gz FRBPRRXJFUXTQZ-IONNQARKSA-N 1 1 201.270 -1.172 20 0 BAADMO C[C@@H]([NH3+])CNC(=O)[C@@]1(C)CNCCO1 ZINC000638210201 352072753 /nfs/dbraw/zinc/07/27/53/352072753.db2.gz FRBPRRXJFUXTQZ-VXNVDRBHSA-N 1 1 201.270 -1.172 20 0 BAADMO C[C@@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CNCCO1 ZINC000638245737 352092948 /nfs/dbraw/zinc/09/29/48/352092948.db2.gz QSUVQYRNTGUESW-SJQPAMGKSA-N 1 1 225.292 -1.301 20 0 BAADMO C[C@]1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CNCCO1 ZINC000638245739 352092799 /nfs/dbraw/zinc/09/27/99/352092799.db2.gz QSUVQYRNTGUESW-UYAYMFIHSA-N 1 1 225.292 -1.301 20 0 BAADMO C[C@@]1(F)C[NH2+]CCN(C(=O)C(N)=O)C1 ZINC000638253052 352096390 /nfs/dbraw/zinc/09/63/90/352096390.db2.gz HDJFTHCUOOCKEV-MRVPVSSYSA-N 1 1 203.217 -1.368 20 0 BAADMO C[C@]1(F)C[NH2+]CCN(C(=O)C(N)=O)C1 ZINC000638253053 352096269 /nfs/dbraw/zinc/09/62/69/352096269.db2.gz HDJFTHCUOOCKEV-QMMMGPOBSA-N 1 1 203.217 -1.368 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412301637 /nfs/dbraw/zinc/30/16/37/412301637.db2.gz OXWHRZAQOTZPGJ-AOOOYVTPSA-N 1 1 239.319 -1.221 20 0 BAADMO [NH3+]CC[C@@H](NC(=O)C1(O)CNC1)C(F)F ZINC000662785064 412301953 /nfs/dbraw/zinc/30/19/53/412301953.db2.gz XVTQKRSWQPRJCS-RXMQYKEDSA-N 1 1 223.223 -1.581 20 0 BAADMO [NH3+]CC[C@H](NC(=O)C1(O)CNC1)C(F)F ZINC000662785075 412301932 /nfs/dbraw/zinc/30/19/32/412301932.db2.gz XVTQKRSWQPRJCS-YFKPBYRVSA-N 1 1 223.223 -1.581 20 0 BAADMO O=C(NCCC[C@H]1CCC[NH2+]1)C1(O)CNC1 ZINC000662786255 412302050 /nfs/dbraw/zinc/30/20/50/412302050.db2.gz VPIPZJWYCQOXPZ-SECBINFHSA-N 1 1 227.308 -1.031 20 0 BAADMO O=C(NCCC[C@@H]1CCC[NH2+]1)C1(O)CNC1 ZINC000662786256 412301697 /nfs/dbraw/zinc/30/16/97/412301697.db2.gz VPIPZJWYCQOXPZ-VIFPVBQESA-N 1 1 227.308 -1.031 20 0 BAADMO O=C(N1CC[NH+]2CCC1CC2)C1(O)CNC1 ZINC000662789704 409919660 /nfs/dbraw/zinc/91/96/60/409919660.db2.gz CMLGUVDOKGHULR-UHFFFAOYSA-N 1 1 225.292 -1.373 20 0 BAADMO C[NH+](C)CCOCCNC(=O)C1(O)CNC1 ZINC000662795427 409924661 /nfs/dbraw/zinc/92/46/61/409924661.db2.gz ALMGIRVWWLSNOE-UHFFFAOYSA-N 1 1 231.296 -1.985 20 0 BAADMO CN(CC[N@@H+](C)C1CC1)C(=O)C1(O)CNC1 ZINC000662800825 412306534 /nfs/dbraw/zinc/30/65/34/412306534.db2.gz GHLGNENACGNWDT-UHFFFAOYSA-N 1 1 227.308 -1.127 20 0 BAADMO CN(CC[N@H+](C)C1CC1)C(=O)C1(O)CNC1 ZINC000662800825 412306532 /nfs/dbraw/zinc/30/65/32/412306532.db2.gz GHLGNENACGNWDT-UHFFFAOYSA-N 1 1 227.308 -1.127 20 0 BAADMO C[C@@H]1CN(C(=O)C2(O)CNC2)C[C@@]1(C)C[NH3+] ZINC000662813810 412308985 /nfs/dbraw/zinc/30/89/85/412308985.db2.gz LZCAKVWRHXRDCU-PSASIEDQSA-N 1 1 227.308 -1.236 20 0 BAADMO C[C@@H]1CCN(C(=O)C2(O)CNC2)C[C@@H]1C[NH3+] ZINC000662814583 409932974 /nfs/dbraw/zinc/93/29/74/409932974.db2.gz PXBXJRYECHDFBL-BDAKNGLRSA-N 1 1 227.308 -1.236 20 0 BAADMO C[C@H]1CCN(C(=O)C2(O)CNC2)C[C@H]1C[NH3+] ZINC000662814585 409932333 /nfs/dbraw/zinc/93/23/33/409932333.db2.gz PXBXJRYECHDFBL-DTWKUNHWSA-N 1 1 227.308 -1.236 20 0 BAADMO C[C@H]1CCN(C(=O)C2(O)CNC2)C[C@@H]1C[NH3+] ZINC000662814587 409932491 /nfs/dbraw/zinc/93/24/91/409932491.db2.gz PXBXJRYECHDFBL-IUCAKERBSA-N 1 1 227.308 -1.236 20 0 BAADMO C[C@@H]1CCN(C(=O)C2(O)CNC2)C[C@H]1C[NH3+] ZINC000662814591 409932370 /nfs/dbraw/zinc/93/23/70/409932370.db2.gz PXBXJRYECHDFBL-RKDXNWHRSA-N 1 1 227.308 -1.236 20 0 BAADMO O=C(N1CCC2(CC[NH2+]2)CC1)C1(O)CNC1 ZINC000662816404 409932271 /nfs/dbraw/zinc/93/22/71/409932271.db2.gz AZPVMZCEEWKRBQ-UHFFFAOYSA-N 1 1 225.292 -1.325 20 0 BAADMO C[NH2+]CCCN(C)C(=O)C1(O)CNC1 ZINC000662816912 412309883 /nfs/dbraw/zinc/30/98/83/412309883.db2.gz QUEPWMVVWHDHOL-UHFFFAOYSA-N 1 1 201.270 -1.611 20 0 BAADMO C[C@H]([NH3+])C[C@H](C)NC(=O)C1(O)CNC1 ZINC000662821609 409934860 /nfs/dbraw/zinc/93/48/60/409934860.db2.gz NIPFNFZYZQGKQR-BQBZGAKWSA-N 1 1 201.270 -1.437 20 0 BAADMO C[C@H](C[C@H](C)[NH3+])NC(=O)C1(O)CNC1 ZINC000662821615 409934824 /nfs/dbraw/zinc/93/48/24/409934824.db2.gz NIPFNFZYZQGKQR-NKWVEPMBSA-N 1 1 201.270 -1.437 20 0 BAADMO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(O)CNC1 ZINC000662821617 409934617 /nfs/dbraw/zinc/93/46/17/409934617.db2.gz NIPFNFZYZQGKQR-RNFRBKRXSA-N 1 1 201.270 -1.437 20 0 BAADMO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(O)CNC1 ZINC000662821618 409934694 /nfs/dbraw/zinc/93/46/94/409934694.db2.gz NIPFNFZYZQGKQR-RQJHMYQMSA-N 1 1 201.270 -1.437 20 0 BAADMO [NH3+]CC1(CCNC(=O)C2(O)CNC2)CC1 ZINC000662828164 412314063 /nfs/dbraw/zinc/31/40/63/412314063.db2.gz AVIGCANGDVEFAZ-UHFFFAOYSA-N 1 1 213.281 -1.434 20 0 BAADMO CCO[C@@H]1CN(C(=O)C2(O)CNC2)C[C@H]1C[NH3+] ZINC000662828551 412314530 /nfs/dbraw/zinc/31/45/30/412314530.db2.gz DIUPMABSPUOJMG-RKDXNWHRSA-N 1 1 243.307 -1.857 20 0 BAADMO [NH3+]CCC1CCN(C(=O)C2(O)CNC2)CC1 ZINC000662829234 412314494 /nfs/dbraw/zinc/31/44/94/412314494.db2.gz AVRQOONGBZWHSD-UHFFFAOYSA-N 1 1 227.308 -1.092 20 0 BAADMO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C1(O)CNC1)C2 ZINC000662829369 412314367 /nfs/dbraw/zinc/31/43/67/412314367.db2.gz SGUFTAOXZHFWNS-ONGXEEELSA-N 1 1 239.319 -1.092 20 0 BAADMO O=C(NCCC1CC[NH2+]CC1)C1(O)CNC1 ZINC000662833514 409940419 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241.291 -1.335 20 0 BAADMO COCCC[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N1 ZINC000669186701 488058251 /nfs/dbraw/zinc/05/82/51/488058251.db2.gz FYDDFWFGAJKXON-SECBINFHSA-N 1 1 243.307 -1.041 20 0 BAADMO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N1 ZINC000669186702 488058160 /nfs/dbraw/zinc/05/81/60/488058160.db2.gz FYDDFWFGAJKXON-VIFPVBQESA-N 1 1 243.307 -1.041 20 0 BAADMO CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000671149058 487971470 /nfs/dbraw/zinc/97/14/70/487971470.db2.gz HGDLDSIZSJWUNL-SECBINFHSA-N 1 1 243.307 -1.041 20 0 BAADMO CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000671149059 487971628 /nfs/dbraw/zinc/97/16/28/487971628.db2.gz HGDLDSIZSJWUNL-VIFPVBQESA-N 1 1 243.307 -1.041 20 0 BAADMO CNC(=O)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000671149133 487972243 /nfs/dbraw/zinc/97/22/43/487972243.db2.gz LPYAYNHWOXRSSX-UHFFFAOYSA-N 1 1 243.307 -1.353 20 0 BAADMO CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000671149361 487972309 /nfs/dbraw/zinc/97/23/09/487972309.db2.gz ZGLQEEZMQWBPQJ-HTQZYQBOSA-N 1 1 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232.280 -1.319 20 0 BAADMO COCCOCC[N@@H+](C)CCS(N)(=O)=O ZINC000808791824 586490172 /nfs/dbraw/zinc/49/01/72/586490172.db2.gz OOYBOUNEFORWMQ-UHFFFAOYSA-N 1 1 240.325 -1.130 20 0 BAADMO COCCOCC[N@H+](C)CCS(N)(=O)=O ZINC000808791824 586490171 /nfs/dbraw/zinc/49/01/71/586490171.db2.gz OOYBOUNEFORWMQ-UHFFFAOYSA-N 1 1 240.325 -1.130 20 0 BAADMO CON(C)C(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000810041123 586531753 /nfs/dbraw/zinc/53/17/53/586531753.db2.gz LOARKXSATVRWAQ-MRVPVSSYSA-N 1 1 220.269 -1.319 20 0 BAADMO CON(C)C(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000810041123 586531752 /nfs/dbraw/zinc/53/17/52/586531752.db2.gz LOARKXSATVRWAQ-MRVPVSSYSA-N 1 1 220.269 -1.319 20 0 BAADMO CON(C)C(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000810041124 586531730 /nfs/dbraw/zinc/53/17/30/586531730.db2.gz LOARKXSATVRWAQ-QMMMGPOBSA-N 1 1 220.269 -1.319 20 0 BAADMO CON(C)C(=O)C[N@H+](CCO)C[C@H](C)O ZINC000810041124 586531729 /nfs/dbraw/zinc/53/17/29/586531729.db2.gz LOARKXSATVRWAQ-QMMMGPOBSA-N 1 1 220.269 -1.319 20 0 BAADMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)N(C)OC ZINC000815135395 586669409 /nfs/dbraw/zinc/66/94/09/586669409.db2.gz ABNITWCXQKSQIS-QMMMGPOBSA-N 1 1 247.295 -1.172 20 0 BAADMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)N(C)OC ZINC000815135395 586669408 /nfs/dbraw/zinc/66/94/08/586669408.db2.gz ABNITWCXQKSQIS-QMMMGPOBSA-N 1 1 247.295 -1.172 20 0 BAADMO C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2COC(=O)C2)C1 ZINC000816677356 586754451 /nfs/dbraw/zinc/75/44/51/586754451.db2.gz NYAWTRZPOXDSNM-JGVFFNPUSA-N 1 1 228.248 -1.251 20 0 BAADMO C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2COC(=O)C2)C1 ZINC000816677356 586754450 /nfs/dbraw/zinc/75/44/50/586754450.db2.gz NYAWTRZPOXDSNM-JGVFFNPUSA-N 1 1 228.248 -1.251 20 0 BAADMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2COC(=O)C2)C1 ZINC000816677357 586754462 /nfs/dbraw/zinc/75/44/62/586754462.db2.gz NYAWTRZPOXDSNM-YUMQZZPRSA-N 1 1 228.248 -1.251 20 0 BAADMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2COC(=O)C2)C1 ZINC000816677357 586754461 /nfs/dbraw/zinc/75/44/61/586754461.db2.gz NYAWTRZPOXDSNM-YUMQZZPRSA-N 1 1 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ZINC000905469122 637829422 /nfs/dbraw/zinc/82/94/22/637829422.db2.gz YDUADPDAKKYGBV-IXLVHKGHSA-N 1 1 244.335 -1.085 20 0 BAADMO C[N@@H+](C[C@H](O)CN[C@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469123 637828681 /nfs/dbraw/zinc/82/86/81/637828681.db2.gz YDUADPDAKKYGBV-KXGXSXBTSA-N 1 1 244.335 -1.085 20 0 BAADMO C[N@H+](C[C@H](O)CN[C@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469123 637828675 /nfs/dbraw/zinc/82/86/75/637828675.db2.gz YDUADPDAKKYGBV-KXGXSXBTSA-N 1 1 244.335 -1.085 20 0 BAADMO C[N@@H+](C[C@@H](O)CN[C@@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469124 637828952 /nfs/dbraw/zinc/82/89/52/637828952.db2.gz YDUADPDAKKYGBV-PDEGPIFNSA-N 1 1 244.335 -1.085 20 0 BAADMO C[N@H+](C[C@@H](O)CN[C@@H]1C[C@@H](O)[C@@H](O)C1)C1CC1 ZINC000905469124 637828950 /nfs/dbraw/zinc/82/89/50/637828950.db2.gz YDUADPDAKKYGBV-PDEGPIFNSA-N 1 1 244.335 -1.085 20 0 BAADMO CO[N-]C(=O)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905589356 637855592 /nfs/dbraw/zinc/85/55/92/637855592.db2.gz OQOUDFZKJMHZIR-SECBINFHSA-N 1 1 231.296 -1.291 20 0 BAADMO CO[N-]C(=O)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000905589356 637855591 /nfs/dbraw/zinc/85/55/91/637855591.db2.gz OQOUDFZKJMHZIR-SECBINFHSA-N 1 1 231.296 -1.291 20 0 BAADMO CO[N-]C(=O)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000905589357 637854816 /nfs/dbraw/zinc/85/48/16/637854816.db2.gz OQOUDFZKJMHZIR-VIFPVBQESA-N 1 1 231.296 -1.291 20 0 BAADMO CO[N-]C(=O)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000905589357 637854811 /nfs/dbraw/zinc/85/48/11/637854811.db2.gz OQOUDFZKJMHZIR-VIFPVBQESA-N 1 1 231.296 -1.291 20 0 BAADMO CO[N-]C(=O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905592436 637857516 /nfs/dbraw/zinc/85/75/16/637857516.db2.gz ZCFCKYUJERZBLA-SECBINFHSA-N 1 1 231.296 -1.290 20 0 BAADMO CO[N-]C(=O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905592437 637856631 /nfs/dbraw/zinc/85/66/31/637856631.db2.gz ZCFCKYUJERZBLA-VIFPVBQESA-N 1 1 231.296 -1.290 20 0 BAADMO C[N@H+]1CC[C@H]1CNC(=S)NCC(N)=O ZINC000905652822 637872611 /nfs/dbraw/zinc/87/26/11/637872611.db2.gz TURHJDOGWRQAHG-LURJTMIESA-N 1 1 216.310 -1.360 20 0 BAADMO C[N@H+]1CC[C@@H]1CNC(=S)NCC(N)=O ZINC000905652829 637872072 /nfs/dbraw/zinc/87/20/72/637872072.db2.gz TURHJDOGWRQAHG-ZCFIWIBFSA-N 1 1 216.310 -1.360 20 0 BAADMO CC[N@@H+](C)C[C@@H](O)CN1CC(O)(C(N)=O)C1 ZINC000905977146 637990576 /nfs/dbraw/zinc/99/05/76/637990576.db2.gz GFHVGHLSUIEGLB-MRVPVSSYSA-N 1 1 231.296 -2.169 20 0 BAADMO CC[N@@H+](C)C[C@H](O)CN1CC(O)(C(N)=O)C1 ZINC000905977147 637991469 /nfs/dbraw/zinc/99/14/69/637991469.db2.gz GFHVGHLSUIEGLB-QMMMGPOBSA-N 1 1 231.296 -2.169 20 0 BAADMO CN(CCO)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906042814 638031694 /nfs/dbraw/zinc/03/16/94/638031694.db2.gz FNUFGRDGUYYICH-UHFFFAOYSA-N 1 1 229.324 -1.070 20 0 BAADMO C[C@@H](O)CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906046403 638035606 /nfs/dbraw/zinc/03/56/06/638035606.db2.gz FBFMUOZRGPHVGF-SECBINFHSA-N 1 1 229.324 -1.023 20 0 BAADMO C[C@H](O)CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906046404 638035646 /nfs/dbraw/zinc/03/56/46/638035646.db2.gz FBFMUOZRGPHVGF-VIFPVBQESA-N 1 1 229.324 -1.023 20 0 BAADMO C[C@H](CO)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906051517 638039311 /nfs/dbraw/zinc/03/93/11/638039311.db2.gz RJWKUCIZDCPANR-SECBINFHSA-N 1 1 229.324 -1.023 20 0 BAADMO C[C@@H](CO)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906051519 638038649 /nfs/dbraw/zinc/03/86/49/638038649.db2.gz RJWKUCIZDCPANR-VIFPVBQESA-N 1 1 229.324 -1.023 20 0 BAADMO CN(CC(N)=O)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906162586 638099853 /nfs/dbraw/zinc/09/98/53/638099853.db2.gz DNRASILBSJSBBB-UHFFFAOYSA-N 1 1 242.323 -1.577 20 0 BAADMO C[N@@H+](CCNC(=O)CCNC(=O)CO)C1CC1 ZINC000906405340 638158615 /nfs/dbraw/zinc/15/86/15/638158615.db2.gz RHXHINRWVDEXDX-UHFFFAOYSA-N 1 1 243.307 -1.305 20 0 BAADMO COCC[N@@H+](C)CCNC(=O)CCC(N)=O ZINC000906521134 638189518 /nfs/dbraw/zinc/18/95/18/638189518.db2.gz PKVVPZDRYAVXLE-UHFFFAOYSA-N 1 1 231.296 -1.054 20 0 BAADMO C[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)CO)C1 ZINC000906583062 638219979 /nfs/dbraw/zinc/21/99/79/638219979.db2.gz BHCONKVGKHAGRX-SECBINFHSA-N 1 1 243.307 -1.305 20 0 BAADMO C[N@H+]1CCC[C@H](NC(=O)CCNC(=O)CO)C1 ZINC000906583063 638218979 /nfs/dbraw/zinc/21/89/79/638218979.db2.gz BHCONKVGKHAGRX-VIFPVBQESA-N 1 1 243.307 -1.305 20 0 BAADMO C[C@@H](O)C[NH+]1CCN(C(=O)CCC(N)=O)CC1 ZINC000906596265 638221080 /nfs/dbraw/zinc/22/10/80/638221080.db2.gz XIDKVVBHFQCWBF-SECBINFHSA-N 1 1 243.307 -1.223 20 0 BAADMO C[C@H](O)C[NH+]1CCN(C(=O)CCC(N)=O)CC1 ZINC000906596266 638223195 /nfs/dbraw/zinc/22/31/95/638223195.db2.gz XIDKVVBHFQCWBF-VIFPVBQESA-N 1 1 243.307 -1.223 20 0 BAADMO C[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)CO ZINC000906676880 638232887 /nfs/dbraw/zinc/23/28/87/638232887.db2.gz PMUCHOFOEKTTHB-SECBINFHSA-N 1 1 243.307 -1.305 20 0 BAADMO C[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)CO ZINC000906676883 638232590 /nfs/dbraw/zinc/23/25/90/638232590.db2.gz PMUCHOFOEKTTHB-VIFPVBQESA-N 1 1 243.307 -1.305 20 0 BAADMO CC(C)[N@@H+](C)CCNC(=O)CCNC(=O)CO ZINC000906682600 638231827 /nfs/dbraw/zinc/23/18/27/638231827.db2.gz PUDSRGHLDRSLQA-UHFFFAOYSA-N 1 1 245.323 -1.059 20 0 BAADMO CN1CC[N@@H+](C)CC(C(=O)NCCC(N)=O)C1 ZINC000906790944 638247962 /nfs/dbraw/zinc/24/79/62/638247962.db2.gz QYSHXEJZDLIWNW-UHFFFAOYSA-N 1 1 242.323 -1.529 20 0 BAADMO C[C@@H]1CN(C(=O)CCNC(=O)CO)CC[N@H+]1C ZINC000906814396 638245960 /nfs/dbraw/zinc/24/59/60/638245960.db2.gz ITTXWBWSBNWABV-SECBINFHSA-N 1 1 243.307 -1.353 20 0 BAADMO C[C@@H]1CN(C(=O)CCNC(=O)CO)CC[N@@H+]1C ZINC000906814396 638245954 /nfs/dbraw/zinc/24/59/54/638245954.db2.gz ITTXWBWSBNWABV-SECBINFHSA-N 1 1 243.307 -1.353 20 0 BAADMO C[C@H]1CN(C(=O)CCNC(=O)CO)CC[N@H+]1C ZINC000906814397 638246610 /nfs/dbraw/zinc/24/66/10/638246610.db2.gz ITTXWBWSBNWABV-VIFPVBQESA-N 1 1 243.307 -1.353 20 0 BAADMO C[C@H]1CN(C(=O)CCNC(=O)CO)CC[N@@H+]1C ZINC000906814397 638246605 /nfs/dbraw/zinc/24/66/05/638246605.db2.gz ITTXWBWSBNWABV-VIFPVBQESA-N 1 1 243.307 -1.353 20 0 BAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC(O)C2)C1 ZINC000906970527 638281509 /nfs/dbraw/zinc/28/15/09/638281509.db2.gz FWSQUOJPWGLLSS-UHFFFAOYSA-N 1 1 227.308 -1.317 20 0 BAADMO CN1CC[N@@H+](C)CC(C(=O)NC(CO)CO)C1 ZINC000907181574 638320018 /nfs/dbraw/zinc/32/00/18/638320018.db2.gz HOGWLULZFNPNCN-UHFFFAOYSA-N 1 1 245.323 -2.051 20 0 BAADMO CN1CC[N@@H+](C)CC(C(=O)N2CC(CO)C2)C1 ZINC000907338502 638348688 /nfs/dbraw/zinc/34/86/88/638348688.db2.gz SNPIICUOEOTZDI-UHFFFAOYSA-N 1 1 241.335 -1.070 20 0 BAADMO COC(=O)CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000907386870 638369547 /nfs/dbraw/zinc/36/95/47/638369547.db2.gz FRLNGGJGGXLHMH-JTQLQIEISA-N 1 1 230.264 -1.268 20 0 BAADMO COC(=O)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000907386872 638369648 /nfs/dbraw/zinc/36/96/48/638369648.db2.gz FRLNGGJGGXLHMH-SNVBAGLBSA-N 1 1 230.264 -1.268 20 0 BAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000907388272 638371594 /nfs/dbraw/zinc/37/15/94/638371594.db2.gz NOYWTCCRYKKLJM-RNSXUZJQSA-N 1 1 241.291 -1.709 20 0 BAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000907388274 638370792 /nfs/dbraw/zinc/37/07/92/638370792.db2.gz NOYWTCCRYKKLJM-VAOFZXAKSA-N 1 1 241.291 -1.709 20 0 BAADMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC000907390469 638371115 /nfs/dbraw/zinc/37/11/15/638371115.db2.gz ZWUGTZZAPJBJJL-GMSGAONNSA-N 1 1 243.263 -1.722 20 0 BAADMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC000907390470 638371252 /nfs/dbraw/zinc/37/12/52/638371252.db2.gz ZWUGTZZAPJBJJL-XCBNKYQSSA-N 1 1 243.263 -1.722 20 0 BAADMO CC[N@@H+](CCO)CCNC(=O)CCC(N)=O ZINC000907440717 638376379 /nfs/dbraw/zinc/37/63/79/638376379.db2.gz OIJJCQGJSWWUCM-UHFFFAOYSA-N 1 1 231.296 -1.318 20 0 BAADMO CC[N@@H+](CCO)CCNC(=O)[C@H]1COC(=O)N1 ZINC000907440936 638377183 /nfs/dbraw/zinc/37/71/83/638377183.db2.gz TYRGAKZSGSKGNC-MRVPVSSYSA-N 1 1 245.279 -1.475 20 0 BAADMO CC[N@@H+](CCO)CCNC(=O)CC(=O)OC ZINC000907441182 638378359 /nfs/dbraw/zinc/37/83/59/638378359.db2.gz VGXDKRMQFQLGGT-UHFFFAOYSA-N 1 1 232.280 -1.020 20 0 BAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000907441220 638378328 /nfs/dbraw/zinc/37/83/28/638378328.db2.gz WQAQGJFBNFORJO-SECBINFHSA-N 1 1 248.323 -1.451 20 0 BAADMO CC[N@@H+](CCO)CCNC(=O)[C@H](O)C(C)(C)O ZINC000907441221 638378803 /nfs/dbraw/zinc/37/88/03/638378803.db2.gz WQAQGJFBNFORJO-VIFPVBQESA-N 1 1 248.323 -1.451 20 0 BAADMO CC[N@@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000907441289 638379122 /nfs/dbraw/zinc/37/91/22/638379122.db2.gz YVFYRKIDPJUYNU-DTWKUNHWSA-N 1 1 243.307 -1.462 20 0 BAADMO CN1CC[N@@H+](C)CC(C(=O)NOCCO)C1 ZINC000907486521 638389940 /nfs/dbraw/zinc/38/99/40/638389940.db2.gz QCSJSAUYUVTGPL-UHFFFAOYSA-N 1 1 231.296 -1.480 20 0 BAADMO CN1CC[N@H+](C)CC(C(=O)NOCCO)C1 ZINC000907486521 638389933 /nfs/dbraw/zinc/38/99/33/638389933.db2.gz QCSJSAUYUVTGPL-UHFFFAOYSA-N 1 1 231.296 -1.480 20 0 BAADMO CC(C)[NH+]1CC(NC(=O)CCNC(=O)CO)C1 ZINC000907516581 638400405 /nfs/dbraw/zinc/40/04/05/638400405.db2.gz XPGJXNDQXNCLIJ-UHFFFAOYSA-N 1 1 243.307 -1.306 20 0 BAADMO C[C@@H]1CN(C(=O)CCC(N)=O)CC[N@H+]1CCO ZINC000907545086 638398519 /nfs/dbraw/zinc/39/85/19/638398519.db2.gz ZGWDTJPYYRCSKF-SECBINFHSA-N 1 1 243.307 -1.223 20 0 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