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AYPJAGAKRWVMGK-BDAKNGLRSA-N 0 2 240.263 -0.548 20 0 BBADLN C[C@@H](C(=O)[O-])[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000736225917 584992192 /nfs/dbraw/zinc/99/21/92/584992192.db2.gz AYPJAGAKRWVMGK-DTWKUNHWSA-N 0 2 240.263 -0.548 20 0 BBADLN C[C@@H](C(=O)[O-])[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000736225917 584992191 /nfs/dbraw/zinc/99/21/91/584992191.db2.gz AYPJAGAKRWVMGK-DTWKUNHWSA-N 0 2 240.263 -0.548 20 0 BBADLN C[C@@H](C(=O)[O-])[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000736225918 584992152 /nfs/dbraw/zinc/99/21/52/584992152.db2.gz AYPJAGAKRWVMGK-IUCAKERBSA-N 0 2 240.263 -0.548 20 0 BBADLN C[C@@H](C(=O)[O-])[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000736225918 584992151 /nfs/dbraw/zinc/99/21/51/584992151.db2.gz AYPJAGAKRWVMGK-IUCAKERBSA-N 0 2 240.263 -0.548 20 0 BBADLN C[C@H](C(=O)[O-])[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000736225920 584992196 /nfs/dbraw/zinc/99/21/96/584992196.db2.gz AYPJAGAKRWVMGK-RKDXNWHRSA-N 0 2 240.263 -0.548 20 0 BBADLN C[C@H](C(=O)[O-])[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000736225920 584992195 /nfs/dbraw/zinc/99/21/95/584992195.db2.gz AYPJAGAKRWVMGK-RKDXNWHRSA-N 0 2 240.263 -0.548 20 0 BBADLN C[C@H](C[N@@H+](Cc1nnnn1C)C1CC1)C(=O)[O-] ZINC000736581555 585006796 /nfs/dbraw/zinc/00/67/96/585006796.db2.gz JCXQLQIWCBHQJQ-SSDOTTSWSA-N 0 2 239.279 -0.105 20 0 BBADLN C[C@H](C[N@H+](Cc1nnnn1C)C1CC1)C(=O)[O-] ZINC000736581555 585006795 /nfs/dbraw/zinc/00/67/95/585006795.db2.gz JCXQLQIWCBHQJQ-SSDOTTSWSA-N 0 2 239.279 -0.105 20 0 BBADLN C[C@@H](C[N@@H+](Cc1nnnn1C)C1CC1)C(=O)[O-] ZINC000736581556 585006630 /nfs/dbraw/zinc/00/66/30/585006630.db2.gz JCXQLQIWCBHQJQ-ZETCQYMHSA-N 0 2 239.279 -0.105 20 0 BBADLN C[C@@H](C[N@H+](Cc1nnnn1C)C1CC1)C(=O)[O-] ZINC000736581556 585006629 /nfs/dbraw/zinc/00/66/29/585006629.db2.gz JCXQLQIWCBHQJQ-ZETCQYMHSA-N 0 2 239.279 -0.105 20 0 BBADLN C[C@H](CNC(=O)CNC(=O)[O-])Cn1cc[nH+]c1 ZINC000736596161 585007076 /nfs/dbraw/zinc/00/70/76/585007076.db2.gz YLTWDLXAUYPQBZ-MRVPVSSYSA-N 0 2 240.263 -0.097 20 0 BBADLN C[C@@H](CNC(=O)CNC(=O)[O-])Cn1cc[nH+]c1 ZINC000736596170 585006988 /nfs/dbraw/zinc/00/69/88/585006988.db2.gz YLTWDLXAUYPQBZ-QMMMGPOBSA-N 0 2 240.263 -0.097 20 0 BBADLN C[C@H](CSc1nc(N)nc(N)[nH+]1)C(=O)[O-] ZINC000736618258 585007054 /nfs/dbraw/zinc/00/70/54/585007054.db2.gz MZRCOOIJCGHUQQ-GSVOUGTGSA-N 0 2 229.265 -0.151 20 0 BBADLN C[C@@H](CSc1nc(N)nc(N)[nH+]1)C(=O)[O-] ZINC000736618261 585007135 /nfs/dbraw/zinc/00/71/35/585007135.db2.gz MZRCOOIJCGHUQQ-VKHMYHEASA-N 0 2 229.265 -0.151 20 0 BBADLN C[C@@H]1C[N@H+](CC(=O)NCCC(=O)[O-])C[C@H](C)O1 ZINC000736805487 585016227 /nfs/dbraw/zinc/01/62/27/585016227.db2.gz DQRNXOQVUKXIJG-DTORHVGOSA-N 0 2 244.291 -0.314 20 0 BBADLN C[C@@H]1C[N@@H+](CC(=O)NCCC(=O)[O-])C[C@H](C)O1 ZINC000736805487 585016226 /nfs/dbraw/zinc/01/62/26/585016226.db2.gz DQRNXOQVUKXIJG-DTORHVGOSA-N 0 2 244.291 -0.314 20 0 BBADLN C[C@H]1C[NH+](CC(=O)NCCC(=O)[O-])C[C@H](C)O1 ZINC000736805488 585016172 /nfs/dbraw/zinc/01/61/72/585016172.db2.gz DQRNXOQVUKXIJG-IUCAKERBSA-N 0 2 244.291 -0.314 20 0 BBADLN C[C@@H]1C[NH+](CC(=O)NCCC(=O)[O-])C[C@@H](C)O1 ZINC000736805492 585016247 /nfs/dbraw/zinc/01/62/47/585016247.db2.gz DQRNXOQVUKXIJG-RKDXNWHRSA-N 0 2 244.291 -0.314 20 0 BBADLN C[C@@H]1COCC[N@H+]1CCNC(=O)CNC(=O)[O-] ZINC000736820117 585016715 /nfs/dbraw/zinc/01/67/15/585016715.db2.gz ADTQTZIDYWNCJI-MRVPVSSYSA-N 0 2 245.279 -0.909 20 0 BBADLN C[C@@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)[O-] ZINC000736820117 585016714 /nfs/dbraw/zinc/01/67/14/585016714.db2.gz ADTQTZIDYWNCJI-MRVPVSSYSA-N 0 2 245.279 -0.909 20 0 BBADLN C[C@H]1COCC[N@H+]1CCNC(=O)CNC(=O)[O-] ZINC000736820123 585016780 /nfs/dbraw/zinc/01/67/80/585016780.db2.gz ADTQTZIDYWNCJI-QMMMGPOBSA-N 0 2 245.279 -0.909 20 0 BBADLN C[C@H]1COCC[N@@H+]1CCNC(=O)CNC(=O)[O-] ZINC000736820123 585016779 /nfs/dbraw/zinc/01/67/79/585016779.db2.gz ADTQTZIDYWNCJI-QMMMGPOBSA-N 0 2 245.279 -0.909 20 0 BBADLN C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCC(=O)[O-] ZINC000736820624 585016728 /nfs/dbraw/zinc/01/67/28/585016728.db2.gz CJDNSWBBDFFMRV-HTQZYQBOSA-N 0 2 230.264 -0.704 20 0 BBADLN C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCC(=O)[O-] ZINC000736820625 585016711 /nfs/dbraw/zinc/01/67/11/585016711.db2.gz CJDNSWBBDFFMRV-OCAPTIKFSA-N 0 2 230.264 -0.704 20 0 BBADLN C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCC(=O)[O-] ZINC000736820625 585016710 /nfs/dbraw/zinc/01/67/10/585016710.db2.gz CJDNSWBBDFFMRV-OCAPTIKFSA-N 0 2 230.264 -0.704 20 0 BBADLN C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCC(=O)[O-] ZINC000736820626 585016750 /nfs/dbraw/zinc/01/67/50/585016750.db2.gz CJDNSWBBDFFMRV-YUMQZZPRSA-N 0 2 230.264 -0.704 20 0 BBADLN C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCCC(=O)[O-] ZINC000736822583 585016893 /nfs/dbraw/zinc/01/68/93/585016893.db2.gz RSKFBXARFNJCQU-DTORHVGOSA-N 0 2 244.291 -0.314 20 0 BBADLN C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCCC(=O)[O-] ZINC000736822583 585016892 /nfs/dbraw/zinc/01/68/92/585016892.db2.gz RSKFBXARFNJCQU-DTORHVGOSA-N 0 2 244.291 -0.314 20 0 BBADLN C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCCC(=O)[O-] ZINC000736822584 585016898 /nfs/dbraw/zinc/01/68/98/585016898.db2.gz RSKFBXARFNJCQU-IUCAKERBSA-N 0 2 244.291 -0.314 20 0 BBADLN C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCCC(=O)[O-] ZINC000736822585 585016877 /nfs/dbraw/zinc/01/68/77/585016877.db2.gz RSKFBXARFNJCQU-RKDXNWHRSA-N 0 2 244.291 -0.314 20 0 BBADLN CCC(=O)N(CC[NH+]1CCOCC1)CC(=O)[O-] ZINC000736837774 585017026 /nfs/dbraw/zinc/01/70/26/585017026.db2.gz ZGAKGVHBEIVTKT-UHFFFAOYSA-N 0 2 244.291 -0.358 20 0 BBADLN CC[C@H](C(N)=O)[NH+]1CCN(C(=O)[O-])CC1 ZINC000736860022 585018112 /nfs/dbraw/zinc/01/81/12/585018112.db2.gz NTUVKEHYVXVLSM-SSDOTTSWSA-N 0 2 215.253 -0.454 20 0 BBADLN CC[C@@H](C(N)=O)[NH+]1CCN(C(=O)[O-])CC1 ZINC000736860023 585018039 /nfs/dbraw/zinc/01/80/39/585018039.db2.gz NTUVKEHYVXVLSM-ZETCQYMHSA-N 0 2 215.253 -0.454 20 0 BBADLN CC[C@H](C(=O)[O-])[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000736860047 585018348 /nfs/dbraw/zinc/01/83/48/585018348.db2.gz PQIQMRDLKYPOFI-NXEZZACHSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@H](C(=O)[O-])[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000736860047 585018347 /nfs/dbraw/zinc/01/83/47/585018347.db2.gz PQIQMRDLKYPOFI-NXEZZACHSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@H](C(=O)[O-])[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000736860048 585018102 /nfs/dbraw/zinc/01/81/02/585018102.db2.gz PQIQMRDLKYPOFI-UWVGGRQHSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000736860048 585018101 /nfs/dbraw/zinc/01/81/01/585018101.db2.gz PQIQMRDLKYPOFI-UWVGGRQHSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@H](C(=O)[O-])[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000736860049 585018301 /nfs/dbraw/zinc/01/83/01/585018301.db2.gz PQIQMRDLKYPOFI-VHSXEESVSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@H](C(=O)[O-])[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000736860049 585018300 /nfs/dbraw/zinc/01/83/00/585018300.db2.gz PQIQMRDLKYPOFI-VHSXEESVSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@H](C(=O)[O-])[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000736860050 585018186 /nfs/dbraw/zinc/01/81/86/585018186.db2.gz PQIQMRDLKYPOFI-ZJUUUORDSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@H](C(=O)[O-])[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000736860050 585018185 /nfs/dbraw/zinc/01/81/85/585018185.db2.gz PQIQMRDLKYPOFI-ZJUUUORDSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000736861037 585018170 /nfs/dbraw/zinc/01/81/70/585018170.db2.gz IQRDBMLSXVHDAS-GZMMTYOYSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000736861037 585018169 /nfs/dbraw/zinc/01/81/69/585018169.db2.gz IQRDBMLSXVHDAS-GZMMTYOYSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000736861038 585018094 /nfs/dbraw/zinc/01/80/94/585018094.db2.gz IQRDBMLSXVHDAS-KCJUWKMLSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000736861038 585018093 /nfs/dbraw/zinc/01/80/93/585018093.db2.gz IQRDBMLSXVHDAS-KCJUWKMLSA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000736861039 585018214 /nfs/dbraw/zinc/01/82/14/585018214.db2.gz IQRDBMLSXVHDAS-KWQFWETISA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000736861039 585018213 /nfs/dbraw/zinc/01/82/13/585018213.db2.gz IQRDBMLSXVHDAS-KWQFWETISA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000736861040 585018345 /nfs/dbraw/zinc/01/83/45/585018345.db2.gz IQRDBMLSXVHDAS-LDYMZIIASA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000736861040 585018344 /nfs/dbraw/zinc/01/83/44/585018344.db2.gz IQRDBMLSXVHDAS-LDYMZIIASA-N 0 2 244.291 -0.314 20 0 BBADLN CC[C@@H](C)NC(=O)C[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000736887557 585018810 /nfs/dbraw/zinc/01/88/10/585018810.db2.gz RBOSRVBAFICELR-HLTSFMKQSA-N 0 2 244.291 -0.579 20 0 BBADLN CC[C@@H](C)NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000736887557 585018809 /nfs/dbraw/zinc/01/88/09/585018809.db2.gz RBOSRVBAFICELR-HLTSFMKQSA-N 0 2 244.291 -0.579 20 0 BBADLN CC[C@H]1C[N@@H+](CC(=O)NCC(=O)[O-])C[C@@H](C)O1 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-0.037 20 0 BBADLN CCN(C)C(=O)C[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000829608984 587505862 /nfs/dbraw/zinc/50/58/62/587505862.db2.gz SXYIPIHAEQGJDT-SNVBAGLBSA-N 0 2 232.255 -0.037 20 0 BBADLN COCCONC(=O)Cc1nnc(C)[nH]1 ZINC000829678904 587508959 /nfs/dbraw/zinc/50/89/59/587508959.db2.gz ZPDQVCUNPPDETI-UHFFFAOYSA-N 0 2 214.225 -0.650 20 0 BBADLN COCCONC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000829682907 587509577 /nfs/dbraw/zinc/50/95/77/587509577.db2.gz OEYPKGKXBPLZBA-SSDOTTSWSA-N 0 2 240.263 -0.081 20 0 BBADLN COCCONC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000829682907 587509572 /nfs/dbraw/zinc/50/95/72/587509572.db2.gz OEYPKGKXBPLZBA-SSDOTTSWSA-N 0 2 240.263 -0.081 20 0 BBADLN COCCONC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000829682908 587509241 /nfs/dbraw/zinc/50/92/41/587509241.db2.gz OEYPKGKXBPLZBA-ZETCQYMHSA-N 0 2 240.263 -0.081 20 0 BBADLN COCCONC(=O)[C@H]1CCCc2nn[nH]c21 ZINC000829682908 587509239 /nfs/dbraw/zinc/50/92/39/587509239.db2.gz OEYPKGKXBPLZBA-ZETCQYMHSA-N 0 2 240.263 -0.081 20 0 BBADLN C[S@](=O)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000829700902 587510454 /nfs/dbraw/zinc/51/04/54/587510454.db2.gz WMJKBAGMVPCLCT-AWEZNQCLSA-N 0 2 220.294 -0.340 20 0 BBADLN C[S@@](=O)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000829700903 587510438 /nfs/dbraw/zinc/51/04/38/587510438.db2.gz WMJKBAGMVPCLCT-CQSZACIVSA-N 0 2 220.294 -0.340 20 0 BBADLN CCNC(=O)C[NH2+][C@H](C(=O)[O-])c1cccnc1 ZINC000829790517 587516830 /nfs/dbraw/zinc/51/68/30/587516830.db2.gz VZRLWMSOOBLQTF-JTQLQIEISA-N 0 2 237.259 -0.067 20 0 BBADLN CCNC(=O)C[NH2+][C@@H](C(=O)[O-])c1cccnc1 ZINC000829790518 587516790 /nfs/dbraw/zinc/51/67/90/587516790.db2.gz VZRLWMSOOBLQTF-SNVBAGLBSA-N 0 2 237.259 -0.067 20 0 BBADLN CCNC(=O)C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000829790644 587516611 /nfs/dbraw/zinc/51/66/11/587516611.db2.gz ZIAZCDHHZKFBKN-SECBINFHSA-N 0 2 218.228 -0.379 20 0 BBADLN CCNC(=O)C[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000829790644 587516609 /nfs/dbraw/zinc/51/66/09/587516609.db2.gz ZIAZCDHHZKFBKN-SECBINFHSA-N 0 2 218.228 -0.379 20 0 BBADLN CCNC(=O)C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000829790645 587517013 /nfs/dbraw/zinc/51/70/13/587517013.db2.gz ZIAZCDHHZKFBKN-VIFPVBQESA-N 0 2 218.228 -0.379 20 0 BBADLN CCNC(=O)C[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000829790645 587517012 /nfs/dbraw/zinc/51/70/12/587517012.db2.gz ZIAZCDHHZKFBKN-VIFPVBQESA-N 0 2 218.228 -0.379 20 0 BBADLN CCNC(=O)C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC000829790648 587516746 /nfs/dbraw/zinc/51/67/46/587516746.db2.gz ZLMAYHQEODWWCH-SECBINFHSA-N 0 2 246.307 -0.068 20 0 BBADLN CCNC(=O)C[N@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC000829790648 587516745 /nfs/dbraw/zinc/51/67/45/587516745.db2.gz ZLMAYHQEODWWCH-SECBINFHSA-N 0 2 246.307 -0.068 20 0 BBADLN CCNC(=O)C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC000829790649 587516997 /nfs/dbraw/zinc/51/69/97/587516997.db2.gz ZLMAYHQEODWWCH-VIFPVBQESA-N 0 2 246.307 -0.068 20 0 BBADLN CCNC(=O)C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC000829790649 587516996 /nfs/dbraw/zinc/51/69/96/587516996.db2.gz ZLMAYHQEODWWCH-VIFPVBQESA-N 0 2 246.307 -0.068 20 0 BBADLN Cc1[nH+]c[nH]c1CNC(=O)CN(C)C(=O)[O-] ZINC000829833413 587521298 /nfs/dbraw/zinc/52/12/98/587521298.db2.gz JRPMBLVBKVGGQO-UHFFFAOYSA-N 0 2 226.236 -0.056 20 0 BBADLN Cc1[nH+]c[nH]c1CNC(=O)CNC(=O)[O-] ZINC000829833683 587521057 /nfs/dbraw/zinc/52/10/57/587521057.db2.gz LUIMMTRMNXRKHG-UHFFFAOYSA-N 0 2 212.209 -0.398 20 0 BBADLN Cc1[nH+]c[nH]c1CNC(=O)CCNC(=O)[O-] ZINC000829834182 587521563 /nfs/dbraw/zinc/52/15/63/587521563.db2.gz QEVOJBWIFRZQGJ-UHFFFAOYSA-N 0 2 226.236 -0.008 20 0 BBADLN Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)NC(=O)[O-] ZINC000829834942 587521708 /nfs/dbraw/zinc/52/17/08/587521708.db2.gz XKTYNOPUZXYXPF-LURJTMIESA-N 0 2 226.236 -0.010 20 0 BBADLN Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)NC(=O)[O-] ZINC000829835037 587521557 /nfs/dbraw/zinc/52/15/57/587521557.db2.gz XKTYNOPUZXYXPF-ZCFIWIBFSA-N 0 2 226.236 -0.010 20 0 BBADLN CCOCCNC(=O)C[N@@H+](CC(=O)[O-])C1CC1 ZINC000830011478 587532209 /nfs/dbraw/zinc/53/22/09/587532209.db2.gz GRNLUFQHOQSKGM-UHFFFAOYSA-N 0 2 244.291 -0.312 20 0 BBADLN CCOCCNC(=O)C[N@H+](CC(=O)[O-])C1CC1 ZINC000830011478 587532207 /nfs/dbraw/zinc/53/22/07/587532207.db2.gz GRNLUFQHOQSKGM-UHFFFAOYSA-N 0 2 244.291 -0.312 20 0 BBADLN CCOCCNC(=O)C[N@@H+](CC)CC(=O)[O-] ZINC000830012011 587532177 /nfs/dbraw/zinc/53/21/77/587532177.db2.gz SMGOZWPNBMDYBK-UHFFFAOYSA-N 0 2 232.280 -0.454 20 0 BBADLN CCOCCNC(=O)C[N@H+](CC)CC(=O)[O-] ZINC000830012011 587532176 /nfs/dbraw/zinc/53/21/76/587532176.db2.gz SMGOZWPNBMDYBK-UHFFFAOYSA-N 0 2 232.280 -0.454 20 0 BBADLN N=C1NC(=O)[C@H](CC(=O)N[C@H]2C[C@@H](O)C2)S1 ZINC000830548216 587557405 /nfs/dbraw/zinc/55/74/05/587557405.db2.gz GDRSYWYWWFACMM-JKUQZMGJSA-N 0 2 243.288 -0.818 20 0 BBADLN N=C1NC(=O)[C@@H](CC(=O)N[C@H]2C[C@@H](O)C2)S1 ZINC000830548222 587557629 /nfs/dbraw/zinc/55/76/29/587557629.db2.gz GDRSYWYWWFACMM-NGJCXOISSA-N 0 2 243.288 -0.818 20 0 BBADLN CN(C)C(=O)C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000830551959 587557373 /nfs/dbraw/zinc/55/73/73/587557373.db2.gz QJKLMFZNFNZBLX-SECBINFHSA-N 0 2 218.228 -0.427 20 0 BBADLN CN(C)C(=O)C[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000830551959 587557372 /nfs/dbraw/zinc/55/73/72/587557372.db2.gz QJKLMFZNFNZBLX-SECBINFHSA-N 0 2 218.228 -0.427 20 0 BBADLN CN(C)C(=O)C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000830551969 587557487 /nfs/dbraw/zinc/55/74/87/587557487.db2.gz QJKLMFZNFNZBLX-VIFPVBQESA-N 0 2 218.228 -0.427 20 0 BBADLN CN(C)C(=O)C[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000830551969 587557485 /nfs/dbraw/zinc/55/74/85/587557485.db2.gz QJKLMFZNFNZBLX-VIFPVBQESA-N 0 2 218.228 -0.427 20 0 BBADLN CN(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1cccnc1 ZINC000830552168 587557617 /nfs/dbraw/zinc/55/76/17/587557617.db2.gz ZHEWVSUUALPQME-JTQLQIEISA-N 0 2 237.259 -0.115 20 0 BBADLN CN(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c1cccnc1 ZINC000830552169 587557752 /nfs/dbraw/zinc/55/77/52/587557752.db2.gz ZHEWVSUUALPQME-SNVBAGLBSA-N 0 2 237.259 -0.115 20 0 BBADLN C[N@@H+](CC(=O)NCCC(=O)[O-])Cc1cn[nH]c1 ZINC000830676429 587563878 /nfs/dbraw/zinc/56/38/78/587563878.db2.gz FBKKHWVUGLDDFI-UHFFFAOYSA-N 0 2 240.263 -0.568 20 0 BBADLN C[N@H+](CC(=O)NCCC(=O)[O-])Cc1cn[nH]c1 ZINC000830676429 587563877 /nfs/dbraw/zinc/56/38/77/587563877.db2.gz FBKKHWVUGLDDFI-UHFFFAOYSA-N 0 2 240.263 -0.568 20 0 BBADLN Cc1[nH]c(C(=O)NC2CN(C(=O)[O-])C2)c[nH+]1 ZINC000830703188 587564370 /nfs/dbraw/zinc/56/43/70/587564370.db2.gz CFHJXYXAZSAJKN-UHFFFAOYSA-N 0 2 224.220 -0.190 20 0 BBADLN Cc1nc(NCCNC(=O)[O-])nc(N(C)C)[nH+]1 ZINC000830775740 587569903 /nfs/dbraw/zinc/56/99/03/587569903.db2.gz SDAYDVJZIKOROM-UHFFFAOYSA-N 0 2 240.267 -0.074 20 0 BBADLN Cc1nc(N(C)C)nc(NCCNC(=O)[O-])[nH+]1 ZINC000830775740 587569902 /nfs/dbraw/zinc/56/99/02/587569902.db2.gz SDAYDVJZIKOROM-UHFFFAOYSA-N 0 2 240.267 -0.074 20 0 BBADLN COC1(C(=O)OCc2n[nH]c(=O)[nH]2)CC1 ZINC000830832339 587572884 /nfs/dbraw/zinc/57/28/84/587572884.db2.gz HSHGGMTUSHSQIZ-UHFFFAOYSA-N 0 2 213.193 -0.268 20 0 BBADLN Cc1nnc(C[N@H+]2CC[C@H](NC(=O)[O-])C2)n1C ZINC000830887728 587575280 /nfs/dbraw/zinc/57/52/80/587575280.db2.gz RDSZMOJUBYMBFD-QMMMGPOBSA-N 0 2 239.279 -0.035 20 0 BBADLN Cc1nnc(C[N@@H+]2CC[C@H](NC(=O)[O-])C2)n1C ZINC000830887728 587575279 /nfs/dbraw/zinc/57/52/79/587575279.db2.gz RDSZMOJUBYMBFD-QMMMGPOBSA-N 0 2 239.279 -0.035 20 0 BBADLN O=C(OCc1n[nH]c(=O)[nH]1)[C@@H]1CCC(=O)C1 ZINC000830895473 587576171 /nfs/dbraw/zinc/57/61/71/587576171.db2.gz AXZGGRKRMSEKQQ-RXMQYKEDSA-N 0 2 225.204 -0.077 20 0 BBADLN O=C(OCc1n[nH]c(=O)[nH]1)[C@H]1CCC(=O)C1 ZINC000830895479 587576054 /nfs/dbraw/zinc/57/60/54/587576054.db2.gz AXZGGRKRMSEKQQ-YFKPBYRVSA-N 0 2 225.204 -0.077 20 0 BBADLN C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)CC(=O)[O-])C1 ZINC000830960611 587579110 /nfs/dbraw/zinc/57/91/10/587579110.db2.gz ULCYUZRRJWTHOI-MRVPVSSYSA-N 0 2 244.291 -0.314 20 0 BBADLN C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)CC(=O)[O-])C1 ZINC000830960611 587579109 /nfs/dbraw/zinc/57/91/09/587579109.db2.gz ULCYUZRRJWTHOI-MRVPVSSYSA-N 0 2 244.291 -0.314 20 0 BBADLN C[N@H+]1CCO[C@H](C(=O)NC(C)(C)CC(=O)[O-])C1 ZINC000830960612 587578998 /nfs/dbraw/zinc/57/89/98/587578998.db2.gz ULCYUZRRJWTHOI-QMMMGPOBSA-N 0 2 244.291 -0.314 20 0 BBADLN C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)CC(=O)[O-])C1 ZINC000830960612 587578997 /nfs/dbraw/zinc/57/89/97/587578997.db2.gz ULCYUZRRJWTHOI-QMMMGPOBSA-N 0 2 244.291 -0.314 20 0 BBADLN CNC(=O)C[N@@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC000830988349 587580182 /nfs/dbraw/zinc/58/01/82/587580182.db2.gz YSNJZOYCWSHGAG-MRVPVSSYSA-N 0 2 232.280 -0.458 20 0 BBADLN CNC(=O)C[N@H+](C)[C@H](COC(C)C)C(=O)[O-] ZINC000830988349 587580181 /nfs/dbraw/zinc/58/01/81/587580181.db2.gz YSNJZOYCWSHGAG-MRVPVSSYSA-N 0 2 232.280 -0.458 20 0 BBADLN CNC(=O)C[N@@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC000830988353 587580244 /nfs/dbraw/zinc/58/02/44/587580244.db2.gz YSNJZOYCWSHGAG-QMMMGPOBSA-N 0 2 232.280 -0.458 20 0 BBADLN CNC(=O)C[N@H+](C)[C@@H](COC(C)C)C(=O)[O-] ZINC000830988353 587580243 /nfs/dbraw/zinc/58/02/43/587580243.db2.gz YSNJZOYCWSHGAG-QMMMGPOBSA-N 0 2 232.280 -0.458 20 0 BBADLN CNC(=O)C[N@H+]1CC[C@](F)(C(=O)[O-])C1 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587717812 /nfs/dbraw/zinc/71/78/12/587717812.db2.gz UVACWHKOORLRAO-UHFFFAOYSA-N 0 2 242.279 -0.276 20 0 BBADLN CC(C)[N@H+](CCC(=O)[O-])Cn1ncn(C)c1=O ZINC000833498672 587717811 /nfs/dbraw/zinc/71/78/11/587717811.db2.gz UVACWHKOORLRAO-UHFFFAOYSA-N 0 2 242.279 -0.276 20 0 BBADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000833554790 587719529 /nfs/dbraw/zinc/71/95/29/587719529.db2.gz KXPBGAQSINHDFZ-SECBINFHSA-N 0 2 226.236 -0.193 20 0 BBADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000833554790 587719528 /nfs/dbraw/zinc/71/95/28/587719528.db2.gz KXPBGAQSINHDFZ-SECBINFHSA-N 0 2 226.236 -0.193 20 0 BBADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000833554791 587719542 /nfs/dbraw/zinc/71/95/42/587719542.db2.gz KXPBGAQSINHDFZ-VIFPVBQESA-N 0 2 226.236 -0.193 20 0 BBADLN C[C@]1(C(=O)[O-])CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000833554791 587719541 /nfs/dbraw/zinc/71/95/41/587719541.db2.gz KXPBGAQSINHDFZ-VIFPVBQESA-N 0 2 226.236 -0.193 20 0 BBADLN 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