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ZINC000877110947 590287362 /nfs/dbraw/zinc/28/73/62/590287362.db2.gz GQPGXMVHBRNXRQ-GJMOJQLCSA-N 0 3 245.279 -1.373 20 0 BAADHN COCCNCC(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877114007 590287848 /nfs/dbraw/zinc/28/78/48/590287848.db2.gz KAQYLBKJWUZJMW-RKDXNWHRSA-N 0 3 242.275 -1.146 20 0 BAADHN CCNCC(=O)NCCCS(=O)(=O)NC ZINC000877196348 590299414 /nfs/dbraw/zinc/29/94/14/590299414.db2.gz YOGVEGAKBLIQDA-UHFFFAOYSA-N 0 3 237.325 -1.349 20 0 BAADHN C[C@H](N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877270861 590304734 /nfs/dbraw/zinc/30/47/34/590304734.db2.gz ROVCGXSTKJRTLL-CIUDSAMLSA-N 0 3 241.291 -1.160 20 0 BAADHN C[C@H](N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877270862 590304961 /nfs/dbraw/zinc/30/49/61/590304961.db2.gz ROVCGXSTKJRTLL-DJLDLDEBSA-N 0 3 241.291 -1.160 20 0 BAADHN C[C@@H](N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877270863 590304967 /nfs/dbraw/zinc/30/49/67/590304967.db2.gz ROVCGXSTKJRTLL-HLTSFMKQSA-N 0 3 241.291 -1.160 20 0 BAADHN C[C@@H](N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877270864 590305243 /nfs/dbraw/zinc/30/52/43/590305243.db2.gz ROVCGXSTKJRTLL-HRDYMLBCSA-N 0 3 241.291 -1.160 20 0 BAADHN C[C@@H](N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877270865 590305237 /nfs/dbraw/zinc/30/52/37/590305237.db2.gz ROVCGXSTKJRTLL-IWSPIJDZSA-N 0 3 241.291 -1.160 20 0 BAADHN C[C@@H](N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877270866 590305036 /nfs/dbraw/zinc/30/50/36/590305036.db2.gz ROVCGXSTKJRTLL-VGMNWLOBSA-N 0 3 241.291 -1.160 20 0 BAADHN C[C@H](N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877270867 590304816 /nfs/dbraw/zinc/30/48/16/590304816.db2.gz ROVCGXSTKJRTLL-XHNCKOQMSA-N 0 3 241.291 -1.160 20 0 BAADHN C[C@H](N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877270868 590305128 /nfs/dbraw/zinc/30/51/28/590305128.db2.gz ROVCGXSTKJRTLL-YIZRAAEISA-N 0 3 241.291 -1.160 20 0 BAADHN CNCC(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877271818 590305257 /nfs/dbraw/zinc/30/52/57/590305257.db2.gz XGGCQJNTJZBOEF-PSASIEDQSA-N 0 3 241.291 -1.288 20 0 BAADHN CNCC(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877271824 590305196 /nfs/dbraw/zinc/30/51/96/590305196.db2.gz XGGCQJNTJZBOEF-SCZZXKLOSA-N 0 3 241.291 -1.288 20 0 BAADHN CNCC(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877271826 590305531 /nfs/dbraw/zinc/30/55/31/590305531.db2.gz XGGCQJNTJZBOEF-WCBMZHEXSA-N 0 3 241.291 -1.288 20 0 BAADHN CNCC(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877271828 590305702 /nfs/dbraw/zinc/30/57/02/590305702.db2.gz XGGCQJNTJZBOEF-WPRPVWTQSA-N 0 3 241.291 -1.288 20 0 BAADHN C[S@@](=N)(=O)N1CCN(C(=O)CN)CC1 ZINC000877297871 590308068 /nfs/dbraw/zinc/30/80/68/590308068.db2.gz BOFZGHWHXCUMIX-AWEZNQCLSA-N 0 3 220.298 -1.319 20 0 BAADHN C[S@](=N)(=O)N1CCN(C(=O)CN)CC1 ZINC000877297875 590308092 /nfs/dbraw/zinc/30/80/92/590308092.db2.gz BOFZGHWHXCUMIX-CQSZACIVSA-N 0 3 220.298 -1.319 20 0 BAADHN CNCC(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000877300324 590309237 /nfs/dbraw/zinc/30/92/37/590309237.db2.gz WIXCVBDQELLHLD-HNNXBMFYSA-N 0 3 234.325 -1.058 20 0 BAADHN CNCC(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000877300325 590309251 /nfs/dbraw/zinc/30/92/51/590309251.db2.gz WIXCVBDQELLHLD-OAHLLOKOSA-N 0 3 234.325 -1.058 20 0 BAADHN CNC(=O)CCN(C)CCn1cnnn1 ZINC000878046375 590480107 /nfs/dbraw/zinc/48/01/07/590480107.db2.gz YFKFGAMSFNKPIS-UHFFFAOYSA-N 0 3 212.257 -1.259 20 0 BAADHN CN(CCn1cnnn1)CCN1CCOCC1 ZINC000878047358 590481602 /nfs/dbraw/zinc/48/16/02/590481602.db2.gz GCOUFBLEAYGADQ-UHFFFAOYSA-N 0 3 240.311 -1.063 20 0 BAADHN CC(C)(O)C[C@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000878155260 590508596 /nfs/dbraw/zinc/50/85/96/590508596.db2.gz FIYCMOKVAIMVNO-AEJSXWLSSA-N 0 3 233.308 -1.064 20 0 BAADHN CC(C)(O)C[C@@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000878155261 590508564 /nfs/dbraw/zinc/50/85/64/590508564.db2.gz FIYCMOKVAIMVNO-KXUCPTDWSA-N 0 3 233.308 -1.064 20 0 BAADHN CNC(=O)[C@H](C)CN(C)CCn1cnnn1 ZINC000878162086 590511607 /nfs/dbraw/zinc/51/16/07/590511607.db2.gz JVLUWUYQRKLLJD-MRVPVSSYSA-N 0 3 226.284 -1.013 20 0 BAADHN CNC(=O)[C@@H](C)CN(C)CCn1cnnn1 ZINC000878162119 590511990 /nfs/dbraw/zinc/51/19/90/590511990.db2.gz JVLUWUYQRKLLJD-QMMMGPOBSA-N 0 3 226.284 -1.013 20 0 BAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N(C)C ZINC000878198592 590522682 /nfs/dbraw/zinc/52/26/82/590522682.db2.gz SFPGLKOUMOFJFG-LURJTMIESA-N 0 3 212.257 -1.110 20 0 BAADHN C[C@H](CNC(=O)c1nnn(C)n1)N(C)C ZINC000878198593 590522767 /nfs/dbraw/zinc/52/27/67/590522767.db2.gz SFPGLKOUMOFJFG-ZCFIWIBFSA-N 0 3 212.257 -1.110 20 0 BAADHN CN(CCc1nnnn1C)CC(C)(CO)CO ZINC000878202015 590524414 /nfs/dbraw/zinc/52/44/14/590524414.db2.gz KLDZNSKWXCVWGU-UHFFFAOYSA-N 0 3 243.311 -1.325 20 0 BAADHN Cn1nnc(C(=O)NCCNc2ccncc2)n1 ZINC000878338291 590550320 /nfs/dbraw/zinc/55/03/20/590550320.db2.gz OUHPURSBCMCVNM-UHFFFAOYSA-N 0 3 247.262 -1.131 20 0 BAADHN OC[C@@]12C[C@@H]1CN(CCn1cnnn1)C2 ZINC000878482522 590576881 /nfs/dbraw/zinc/57/68/81/590576881.db2.gz SVAXLLWWBSYQOH-BDAKNGLRSA-N 0 3 209.253 -1.013 20 0 BAADHN OC[C@]12C[C@H]1CN(CCn1cnnn1)C2 ZINC000878482523 590577122 /nfs/dbraw/zinc/57/71/22/590577122.db2.gz SVAXLLWWBSYQOH-DTWKUNHWSA-N 0 3 209.253 -1.013 20 0 BAADHN C[C@H](CO)N(CCn1cnnn1)C[C@H](C)O ZINC000878485418 590578603 /nfs/dbraw/zinc/57/86/03/590578603.db2.gz MZNLKDVDNFUNLW-BDAKNGLRSA-N 0 3 229.284 -1.263 20 0 BAADHN C[C@@H](O)CN(CCn1cnnn1)[C@@H](C)CO ZINC000878485419 590578372 /nfs/dbraw/zinc/57/83/72/590578372.db2.gz MZNLKDVDNFUNLW-DTWKUNHWSA-N 0 3 229.284 -1.263 20 0 BAADHN C[C@H](O)CN(CCn1cnnn1)[C@@H](C)CO ZINC000878485420 590578349 /nfs/dbraw/zinc/57/83/49/590578349.db2.gz MZNLKDVDNFUNLW-IUCAKERBSA-N 0 3 229.284 -1.263 20 0 BAADHN C[C@@H](O)CN(CCn1cnnn1)[C@H](C)CO ZINC000878485421 590578175 /nfs/dbraw/zinc/57/81/75/590578175.db2.gz MZNLKDVDNFUNLW-RKDXNWHRSA-N 0 3 229.284 -1.263 20 0 BAADHN C[C@H](CO)N(CCc1nnnn1C)C[C@H](C)O ZINC000878485776 590576293 /nfs/dbraw/zinc/57/62/93/590576293.db2.gz RCCFLNDJTPLZSO-BDAKNGLRSA-N 0 3 243.311 -1.184 20 0 BAADHN C[C@@H](O)CN(CCc1nnnn1C)[C@@H](C)CO ZINC000878485777 590577063 /nfs/dbraw/zinc/57/70/63/590577063.db2.gz RCCFLNDJTPLZSO-DTWKUNHWSA-N 0 3 243.311 -1.184 20 0 BAADHN C[C@H](O)CN(CCc1nnnn1C)[C@@H](C)CO ZINC000878485778 590577347 /nfs/dbraw/zinc/57/73/47/590577347.db2.gz RCCFLNDJTPLZSO-IUCAKERBSA-N 0 3 243.311 -1.184 20 0 BAADHN C[C@@H](O)CN(CCc1nnnn1C)[C@H](C)CO ZINC000878485779 590577203 /nfs/dbraw/zinc/57/72/03/590577203.db2.gz RCCFLNDJTPLZSO-RKDXNWHRSA-N 0 3 243.311 -1.184 20 0 BAADHN c1nnnn1CCN1CCc2n[nH]nc2C1 ZINC000878491961 645817641 /nfs/dbraw/zinc/81/76/41/645817641.db2.gz WZAPYOVSGYYHPG-UHFFFAOYSA-N 0 3 220.240 -1.151 20 0 BAADHN C[C@@H]1CCNC(=O)[C@@H]1NCCn1cnnn1 ZINC000878555378 590591433 /nfs/dbraw/zinc/59/14/33/590591433.db2.gz WAGAQENMYOFQOH-HTQZYQBOSA-N 0 3 224.268 -1.213 20 0 BAADHN C[C@H]1CCNC(=O)[C@@H]1NCCn1cnnn1 ZINC000878555379 590591423 /nfs/dbraw/zinc/59/14/23/590591423.db2.gz WAGAQENMYOFQOH-JGVFFNPUSA-N 0 3 224.268 -1.213 20 0 BAADHN C[C@@H]1CCNC(=O)[C@H]1NCCn1cnnn1 ZINC000878555380 590591495 /nfs/dbraw/zinc/59/14/95/590591495.db2.gz WAGAQENMYOFQOH-SFYZADRCSA-N 0 3 224.268 -1.213 20 0 BAADHN C[C@H]1CCNC(=O)[C@H]1NCCn1cnnn1 ZINC000878555381 583381886 /nfs/dbraw/zinc/38/18/86/583381886.db2.gz WAGAQENMYOFQOH-YUMQZZPRSA-N 0 3 224.268 -1.213 20 0 BAADHN COCCN(C)CCNC(=O)c1nnn(C)n1 ZINC000878643296 590600625 /nfs/dbraw/zinc/60/06/25/590600625.db2.gz GETCAYAICWCHLT-UHFFFAOYSA-N 0 3 242.283 -1.482 20 0 BAADHN OCC(CO)NC[C@@H](O)CC1(O)CCCC1 ZINC000878670654 590607576 /nfs/dbraw/zinc/60/75/76/590607576.db2.gz PDXNWYNYXHKUCR-JTQLQIEISA-N 0 3 233.308 -1.015 20 0 BAADHN OCC(CO)NC[C@H](O)CC1(O)CCCC1 ZINC000878670655 590607219 /nfs/dbraw/zinc/60/72/19/590607219.db2.gz PDXNWYNYXHKUCR-SNVBAGLBSA-N 0 3 233.308 -1.015 20 0 BAADHN CO[C@@H]1COC[C@@H]1NCCn1cnnn1 ZINC000878705710 590613206 /nfs/dbraw/zinc/61/32/06/590613206.db2.gz GFSYIGIERAYPJT-JGVFFNPUSA-N 0 3 213.241 -1.324 20 0 BAADHN CO[C@@H]1COC[C@@H]1NCCc1nnnn1C ZINC000878706111 590611791 /nfs/dbraw/zinc/61/17/91/590611791.db2.gz QREWEPVSKFCLQD-JGVFFNPUSA-N 0 3 227.268 -1.244 20 0 BAADHN CNC(=O)[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878720228 590615708 /nfs/dbraw/zinc/61/57/08/590615708.db2.gz JIHNPQFDECMFOG-MRVPVSSYSA-N 0 3 224.268 -1.259 20 0 BAADHN CNC(=O)[C@H]1CCN(CCn2cnnn2)C1 ZINC000878720230 590615781 /nfs/dbraw/zinc/61/57/81/590615781.db2.gz JIHNPQFDECMFOG-QMMMGPOBSA-N 0 3 224.268 -1.259 20 0 BAADHN CO[C@@H]1COC[C@H]1NCCn1cnnn1 ZINC000878760933 590619567 /nfs/dbraw/zinc/61/95/67/590619567.db2.gz GFSYIGIERAYPJT-HTQZYQBOSA-N 0 3 213.241 -1.324 20 0 BAADHN CO[C@@H]1COC[C@H]1NCCc1nnnn1C ZINC000878761884 645823677 /nfs/dbraw/zinc/82/36/77/645823677.db2.gz QREWEPVSKFCLQD-HTQZYQBOSA-N 0 3 227.268 -1.244 20 0 BAADHN COC[C@@H]1C[C@@H](O)CN1CCn1cnnn1 ZINC000878805998 590625733 /nfs/dbraw/zinc/62/57/33/590625733.db2.gz VYUMDDWSNCGYOW-DTWKUNHWSA-N 0 3 227.268 -1.245 20 0 BAADHN COC[C@H]1C[C@@H](O)CN1CCn1cnnn1 ZINC000878805999 590625644 /nfs/dbraw/zinc/62/56/44/590625644.db2.gz VYUMDDWSNCGYOW-RKDXNWHRSA-N 0 3 227.268 -1.245 20 0 BAADHN OC[C@@H]1CC[C@@H](CO)N1CCn1cnnn1 ZINC000878880322 590638081 /nfs/dbraw/zinc/63/80/81/590638081.db2.gz BJRAQGILTYTCLN-IUCAKERBSA-N 0 3 227.268 -1.509 20 0 BAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCn1cnnn1 ZINC000878916282 590650518 /nfs/dbraw/zinc/65/05/18/590650518.db2.gz VXGMLKNZZYYKTQ-JGVFFNPUSA-N 0 3 241.251 -1.407 20 0 BAADHN NC(=O)[C@H]1CN(CCF)C[C@H]1C(N)=O ZINC000878974080 590664907 /nfs/dbraw/zinc/66/49/07/590664907.db2.gz UOELPWRWWKWRPI-OLQVQODUSA-N 0 3 203.217 -1.526 20 0 BAADHN NC(=O)[C@@H]1CN(CCF)C[C@H]1C(N)=O ZINC000878974081 590665330 /nfs/dbraw/zinc/66/53/30/590665330.db2.gz UOELPWRWWKWRPI-PHDIDXHHSA-N 0 3 203.217 -1.526 20 0 BAADHN NC(=O)[C@H]1CN(CCF)C[C@@H]1C(N)=O ZINC000878974082 590665257 /nfs/dbraw/zinc/66/52/57/590665257.db2.gz UOELPWRWWKWRPI-WDSKDSINSA-N 0 3 203.217 -1.526 20 0 BAADHN CN(CCn1cnnn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000879055228 590689113 /nfs/dbraw/zinc/68/91/13/590689113.db2.gz CKDUYVBDFIHCPO-OCAPTIKFSA-N 0 3 224.268 -1.131 20 0 BAADHN 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/nfs/dbraw/zinc/37/71/86/638377186.db2.gz TYRGAKZSGSKGNC-MRVPVSSYSA-N 0 3 245.279 -1.475 20 0 BAADHN CCN(CCO)CCNC(=O)CC(=O)OC ZINC000907441182 638378363 /nfs/dbraw/zinc/37/83/63/638378363.db2.gz VGXDKRMQFQLGGT-UHFFFAOYSA-N 0 3 232.280 -1.020 20 0 BAADHN CCN(CCO)CCNC(=O)[C@@H](O)C(C)(C)O ZINC000907441220 638378333 /nfs/dbraw/zinc/37/83/33/638378333.db2.gz WQAQGJFBNFORJO-SECBINFHSA-N 0 3 248.323 -1.451 20 0 BAADHN CCN(CCO)CCNC(=O)[C@H](O)C(C)(C)O ZINC000907441221 638378808 /nfs/dbraw/zinc/37/88/08/638378808.db2.gz WQAQGJFBNFORJO-VIFPVBQESA-N 0 3 248.323 -1.451 20 0 BAADHN CCN(CCO)CCNC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000907441289 638379128 /nfs/dbraw/zinc/37/91/28/638379128.db2.gz YVFYRKIDPJUYNU-DTWKUNHWSA-N 0 3 243.307 -1.462 20 0 BAADHN C[N@H+]1CCC[C@](O)(CC(=O)[N-]OCCO)C1 ZINC000907485130 638389977 /nfs/dbraw/zinc/38/99/77/638389977.db2.gz KBPFYMRVTHYBJK-JTQLQIEISA-N 0 3 232.280 -1.127 20 0 BAADHN C[N@@H+]1CCC[C@](O)(CC(=O)[N-]OCCO)C1 ZINC000907485130 638389974 /nfs/dbraw/zinc/38/99/74/638389974.db2.gz KBPFYMRVTHYBJK-JTQLQIEISA-N 0 3 232.280 -1.127 20 0 BAADHN C[N@H+]1CCC[C@@](O)(CC(=O)[N-]OCCO)C1 ZINC000907485133 638390189 /nfs/dbraw/zinc/39/01/89/638390189.db2.gz KBPFYMRVTHYBJK-SNVBAGLBSA-N 0 3 232.280 -1.127 20 0 BAADHN C[N@@H+]1CCC[C@@](O)(CC(=O)[N-]OCCO)C1 ZINC000907485133 638390187 /nfs/dbraw/zinc/39/01/87/638390187.db2.gz KBPFYMRVTHYBJK-SNVBAGLBSA-N 0 3 232.280 -1.127 20 0 BAADHN CN1CCN(C)CC(C(=O)O[C@H]2CNOC2)C1 ZINC000908120130 638573118 /nfs/dbraw/zinc/57/31/18/638573118.db2.gz VEHMIUCEWJBVSX-JTQLQIEISA-N 0 3 243.307 -1.074 20 0 BAADHN COC(=O)CC(=O)N[C@@H](CO)CN(C)C ZINC000908199312 638607692 /nfs/dbraw/zinc/60/76/92/638607692.db2.gz CQIKLFIOVOEMAP-SSDOTTSWSA-N 0 3 218.253 -1.412 20 0 BAADHN COC(=O)CC(=O)N[C@H](CO)CN(C)C ZINC000908199313 638606655 /nfs/dbraw/zinc/60/66/55/638606655.db2.gz CQIKLFIOVOEMAP-ZETCQYMHSA-N 0 3 218.253 -1.412 20 0 BAADHN CN(C)C[C@H](CO)NC(=O)Cc1c[nH]cn1 ZINC000908199955 638605837 /nfs/dbraw/zinc/60/58/37/638605837.db2.gz GKVOQZMXKADQOD-SECBINFHSA-N 0 3 226.280 -1.009 20 0 BAADHN CN(C)C[C@@H](CO)NC(=O)Cc1c[nH]cn1 ZINC000908199956 638606635 /nfs/dbraw/zinc/60/66/35/638606635.db2.gz GKVOQZMXKADQOD-VIFPVBQESA-N 0 3 226.280 -1.009 20 0 BAADHN C[C@@H](O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908200895 638609281 /nfs/dbraw/zinc/60/92/81/638609281.db2.gz CBJNKKCNOHJDQX-BDAKNGLRSA-N 0 3 216.281 -1.060 20 0 BAADHN C[C@H](O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908200896 638608494 /nfs/dbraw/zinc/60/84/94/638608494.db2.gz CBJNKKCNOHJDQX-DTWKUNHWSA-N 0 3 216.281 -1.060 20 0 BAADHN C[C@H](O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908200897 638610377 /nfs/dbraw/zinc/61/03/77/638610377.db2.gz CBJNKKCNOHJDQX-IUCAKERBSA-N 0 3 216.281 -1.060 20 0 BAADHN C[C@@H](O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908200898 638609607 /nfs/dbraw/zinc/60/96/07/638609607.db2.gz CBJNKKCNOHJDQX-RKDXNWHRSA-N 0 3 216.281 -1.060 20 0 BAADHN C/C=C/[C@H](O)C(=O)N[C@H](CO)CN(C)C ZINC000908201522 638609050 /nfs/dbraw/zinc/60/90/50/638609050.db2.gz QCXQTFXCMWORQJ-HXQNXIEXSA-N 0 3 216.281 -1.038 20 0 BAADHN C/C=C\[C@H](O)C(=O)N[C@@H](CO)CN(C)C ZINC000908201523 638610054 /nfs/dbraw/zinc/61/00/54/638610054.db2.gz QCXQTFXCMWORQJ-KHTCFXRASA-N 0 3 216.281 -1.038 20 0 BAADHN C/C=C\[C@H](O)C(=O)N[C@H](CO)CN(C)C ZINC000908201524 638610106 /nfs/dbraw/zinc/61/01/06/638610106.db2.gz QCXQTFXCMWORQJ-NSVKDGAOSA-N 0 3 216.281 -1.038 20 0 BAADHN C/C=C/[C@H](O)C(=O)N[C@@H](CO)CN(C)C ZINC000908201525 638608624 /nfs/dbraw/zinc/60/86/24/638608624.db2.gz QCXQTFXCMWORQJ-VJIGKBMESA-N 0 3 216.281 -1.038 20 0 BAADHN CN(C)C[C@H](CO)NC(=O)[C@@H](O)C(C)(C)O ZINC000908201800 638610776 /nfs/dbraw/zinc/61/07/76/638610776.db2.gz ROBYFHNIMLDEPO-HTQZYQBOSA-N 0 3 234.296 -1.843 20 0 BAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H](O)C(C)(C)O ZINC000908201801 638609511 /nfs/dbraw/zinc/60/95/11/638609511.db2.gz ROBYFHNIMLDEPO-JGVFFNPUSA-N 0 3 234.296 -1.843 20 0 BAADHN CN(C)C[C@H](CO)NC(=O)[C@H](O)C(C)(C)O ZINC000908201802 638609067 /nfs/dbraw/zinc/60/90/67/638609067.db2.gz ROBYFHNIMLDEPO-SFYZADRCSA-N 0 3 234.296 -1.843 20 0 BAADHN CN(C)C[C@@H](CO)NC(=O)[C@H](O)C(C)(C)O ZINC000908201803 638610076 /nfs/dbraw/zinc/61/00/76/638610076.db2.gz ROBYFHNIMLDEPO-YUMQZZPRSA-N 0 3 234.296 -1.843 20 0 BAADHN CN(C)C[C@@H](CO)NC(=O)C[C@H]1CCNC1=O ZINC000908202241 638610023 /nfs/dbraw/zinc/61/00/23/638610023.db2.gz UCHMBPSQVLBRAX-BDAKNGLRSA-N 0 3 243.307 -1.449 20 0 BAADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1CCNC1=O ZINC000908202242 638610799 /nfs/dbraw/zinc/61/07/99/638610799.db2.gz UCHMBPSQVLBRAX-DTWKUNHWSA-N 0 3 243.307 -1.449 20 0 BAADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1CCNC1=O ZINC000908202243 638609537 /nfs/dbraw/zinc/60/95/37/638609537.db2.gz UCHMBPSQVLBRAX-IUCAKERBSA-N 0 3 243.307 -1.449 20 0 BAADHN CN(C)C[C@H](CO)NC(=O)C[C@H]1CCNC1=O ZINC000908202244 638609398 /nfs/dbraw/zinc/60/93/98/638609398.db2.gz UCHMBPSQVLBRAX-RKDXNWHRSA-N 0 3 243.307 -1.449 20 0 BAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000908202245 638610837 /nfs/dbraw/zinc/61/08/37/638610837.db2.gz UDDRLRWJIKPQKX-BIIVOSGPSA-N 0 3 229.280 -1.854 20 0 BAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000908202250 638609647 /nfs/dbraw/zinc/60/96/47/638609647.db2.gz UDDRLRWJIKPQKX-GJMOJQLCSA-N 0 3 229.280 -1.854 20 0 BAADHN CN(C)C[C@H](CO)NC(=O)CCC(N)=O ZINC000908202632 638608787 /nfs/dbraw/zinc/60/87/87/638608787.db2.gz WLFJDVCSFYOMGI-SSDOTTSWSA-N 0 3 217.269 -1.709 20 0 BAADHN CN(C)C[C@@H](CO)NC(=O)CCC(N)=O ZINC000908202640 638610696 /nfs/dbraw/zinc/61/06/96/638610696.db2.gz WLFJDVCSFYOMGI-ZETCQYMHSA-N 0 3 217.269 -1.709 20 0 BAADHN NC(=O)CCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000908204848 638609808 /nfs/dbraw/zinc/60/98/08/638609808.db2.gz JWOFAQLMWXBPEE-SECBINFHSA-N 0 3 243.307 -1.175 20 0 BAADHN NC(=O)CCC(=O)N[C@H](CO)CN1CCCC1 ZINC000908204851 638609954 /nfs/dbraw/zinc/60/99/54/638609954.db2.gz JWOFAQLMWXBPEE-VIFPVBQESA-N 0 3 243.307 -1.175 20 0 BAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC(=O)N1 ZINC000908205933 638608972 /nfs/dbraw/zinc/60/89/72/638608972.db2.gz YEIQRCBCOJJIIG-BDAKNGLRSA-N 0 3 241.291 -1.552 20 0 BAADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CC(=O)N1 ZINC000908205934 638608667 /nfs/dbraw/zinc/60/86/67/638608667.db2.gz YEIQRCBCOJJIIG-DTWKUNHWSA-N 0 3 241.291 -1.552 20 0 BAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC(=O)N1 ZINC000908205935 638610164 /nfs/dbraw/zinc/61/01/64/638610164.db2.gz YEIQRCBCOJJIIG-IUCAKERBSA-N 0 3 241.291 -1.552 20 0 BAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CC(=O)N1 ZINC000908205936 638610850 /nfs/dbraw/zinc/61/08/50/638610850.db2.gz YEIQRCBCOJJIIG-RKDXNWHRSA-N 0 3 241.291 -1.552 20 0 BAADHN O=C(CO)N[C@@H](CO)CN1CCCC1 ZINC000908206328 638611027 /nfs/dbraw/zinc/61/10/27/638611027.db2.gz ZHORNIQJTDXYGA-MRVPVSSYSA-N 0 3 202.254 -1.448 20 0 BAADHN O=C(CO)N[C@H](CO)CN1CCCC1 ZINC000908206329 638609307 /nfs/dbraw/zinc/60/93/07/638609307.db2.gz ZHORNIQJTDXYGA-QMMMGPOBSA-N 0 3 202.254 -1.448 20 0 BAADHN CN(C)CCONC(=O)CCNC(=O)CO ZINC000908525641 638997539 /nfs/dbraw/zinc/99/75/39/638997539.db2.gz HUOJLBRDDJZKKK-UHFFFAOYSA-N 0 3 233.268 -1.906 20 0 BAADHN CN(C)CCONC(=O)c1cn(C)c(=O)n1C ZINC000908527462 638997944 /nfs/dbraw/zinc/99/79/44/638997944.db2.gz FRICRYYDHCXQRL-UHFFFAOYSA-N 0 3 242.279 -1.053 20 0 BAADHN CC[C@H](C(=O)N1CC(S(N)(=O)=O)C1)N(C)C ZINC000910514928 639468798 /nfs/dbraw/zinc/46/87/98/639468798.db2.gz HXFIOWRPEYEWHC-MRVPVSSYSA-N 0 3 249.336 -1.174 20 0 BAADHN CC[C@@H](C(=O)N1CC(S(N)(=O)=O)C1)N(C)C ZINC000910514929 639468076 /nfs/dbraw/zinc/46/80/76/639468076.db2.gz HXFIOWRPEYEWHC-QMMMGPOBSA-N 0 3 249.336 -1.174 20 0 BAADHN CCCN(C)CC(=O)N1CC(S(N)(=O)=O)C1 ZINC000910518573 639471400 /nfs/dbraw/zinc/47/14/00/639471400.db2.gz AHDLJMLTPZJMKH-UHFFFAOYSA-N 0 3 249.336 -1.173 20 0 BAADHN CC(C)N(C)CC(=O)N1CC(S(N)(=O)=O)C1 ZINC000910520870 639469926 /nfs/dbraw/zinc/46/99/26/639469926.db2.gz WMDYVEGZZFLGRJ-UHFFFAOYSA-N 0 3 249.336 -1.174 20 0 BAADHN CCN(CC)CC(=O)N1CC(S(N)(=O)=O)C1 ZINC000910521294 639470026 /nfs/dbraw/zinc/47/00/26/639470026.db2.gz GMOHGEREEPIPSQ-UHFFFAOYSA-N 0 3 249.336 -1.173 20 0 BAADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911462269 639653926 /nfs/dbraw/zinc/65/39/26/639653926.db2.gz WEHGKSYXYNNGMM-MRVPVSSYSA-N 0 3 244.295 -1.974 20 0 BAADHN CN(C)CCN(C)C(=O)C(=O)NCCCON ZINC000911514485 639660851 /nfs/dbraw/zinc/66/08/51/639660851.db2.gz USJYPTTZGQNOBK-UHFFFAOYSA-N 0 3 246.311 -1.597 20 0 BAADHN CN1CCC(N(CCO)C(=O)CO)CC1 ZINC000911941151 639899715 /nfs/dbraw/zinc/89/97/15/639899715.db2.gz FYBKWWICVZBXEH-UHFFFAOYSA-N 0 3 216.281 -1.106 20 0 BAADHN COC(=O)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000912054352 639939027 /nfs/dbraw/zinc/93/90/27/639939027.db2.gz KMOOMGIRESNUTI-DTWKUNHWSA-N 0 3 242.275 -1.173 20 0 BAADHN CNC(=O)CNC(=O)[C@]12C[C@H]1CCCN2 ZINC000912076085 639948352 /nfs/dbraw/zinc/94/83/52/639948352.db2.gz RLEWRKLUDPANOS-XCBNKYQSSA-N 0 3 211.265 -1.009 20 0 BAADHN CN(CCO)CCN(C)C(=O)[C@@H](O)C(C)(C)O ZINC000912598443 640122157 /nfs/dbraw/zinc/12/21/57/640122157.db2.gz FQZGAXFRTATPGK-SECBINFHSA-N 0 3 248.323 -1.499 20 0 BAADHN CN(CCO)CCN(C)C(=O)[C@H](O)C(C)(C)O ZINC000912598446 640121408 /nfs/dbraw/zinc/12/14/08/640121408.db2.gz FQZGAXFRTATPGK-VIFPVBQESA-N 0 3 248.323 -1.499 20 0 BAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC000912598876 640120834 /nfs/dbraw/zinc/12/08/34/640120834.db2.gz IUNPFLJLLAXATJ-SECBINFHSA-N 0 3 243.307 -1.495 20 0 BAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCNC1=O ZINC000912598896 640121195 /nfs/dbraw/zinc/12/11/95/640121195.db2.gz IUNPFLJLLAXATJ-VIFPVBQESA-N 0 3 243.307 -1.495 20 0 BAADHN CN(CCO)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC000912599005 640120892 /nfs/dbraw/zinc/12/08/92/640120892.db2.gz GTEDQDKZNNCJQO-MRVPVSSYSA-N 0 3 245.279 -1.523 20 0 BAADHN CN(CCO)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC000912599006 640121781 /nfs/dbraw/zinc/12/17/81/640121781.db2.gz GTEDQDKZNNCJQO-QMMMGPOBSA-N 0 3 245.279 -1.523 20 0 BAADHN CN(CCO)CCN(C)C(=O)[C@@]1(O)CCOC1 ZINC000912599725 640127315 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