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BUEOGSSVQFTIGO-GCVBLCJJSA-N -2 0 447.341 -0.098 20 0 IBADRL CC[C@@H](C)OC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O ZINC001195085275 1074363761 /nfs/dbraw/zinc/36/37/61/1074363761.db2.gz BUEOGSSVQFTIGO-UDTSGEQISA-N -2 0 447.341 -0.098 20 0 IBADRL C[C@H]1[C@H](NC(=O)c2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)C(=O)N1S(=O)(=O)[O-] ZINC001195361326 1074366102 /nfs/dbraw/zinc/36/61/02/1074366102.db2.gz QNCIVXSHFSVSKR-GDXIOXCRSA-N -2 0 436.317 -0.378 20 0 IBADRL CCOC(=O)CS(=O)(=O)[N-]c1ncnc2c1ncn2C[C@@H](C)OC[P@@](=O)([O-])O ZINC001195938951 1074373384 /nfs/dbraw/zinc/37/33/84/1074373384.db2.gz IRTFCWGCFKBIFC-SECBINFHSA-N -2 0 437.371 -0.329 20 0 IBADRL C[C@H]1[C@H](NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)C(=O)N1S(=O)(=O)[O-] ZINC001196051421 1074375065 /nfs/dbraw/zinc/37/50/65/1074375065.db2.gz BDOSDFZAACPZDI-CDUCUWFYSA-N -2 0 443.253 -0.172 20 0 IBADRL CS(=O)(=O)[N-]c1ccsc1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001196738981 1074380260 /nfs/dbraw/zinc/38/02/60/1074380260.db2.gz HJESYPCAFLJQLB-NSHDSACASA-N -2 0 429.480 -0.225 20 0 IBADRL COCCNC(=S)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001197823687 1074388688 /nfs/dbraw/zinc/38/86/88/1074388688.db2.gz BOKMQNWEZXELMU-IVZWLZJFSA-N -2 0 448.398 -0.483 20 0 IBADRL C[C@H]1[C@H](NC(=O)c2cc(-n3ncc(=O)[n-]c3=O)ccc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001198002872 1074389394 /nfs/dbraw/zinc/38/93/94/1074389394.db2.gz VCRPZLCJIJUQQU-KGFZYKRKSA-N -2 0 429.798 -0.882 20 0 IBADRL Cc1ncc(S(=O)(=O)[N-]c2ncnc3c2ncn3CCOC[P@@](=O)([O-])O)n1C ZINC001198356585 1074392593 /nfs/dbraw/zinc/39/25/93/1074392593.db2.gz VUDOVAPPDZRSRH-UHFFFAOYSA-N -2 0 431.371 -0.179 20 0 IBADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001198740163 1074394797 /nfs/dbraw/zinc/39/47/97/1074394797.db2.gz AGMLUIYSGMWURX-DMDPSCGWSA-N -2 0 435.418 -0.034 20 0 IBADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O ZINC001198741131 1074395110 /nfs/dbraw/zinc/39/51/10/1074395110.db2.gz OISYFNNQPUIGLR-YRXQGLPXSA-N -2 0 435.418 -0.034 20 0 IBADRL COCNC(=S)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001198802807 1074395379 /nfs/dbraw/zinc/39/53/79/1074395379.db2.gz GZTSYRUHKLHEMB-DJLDLDEBSA-N -2 0 434.371 -0.526 20 0 IBADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NC(=S)NCCN2CCOCC2)c1 ZINC001200128082 1074337045 /nfs/dbraw/zinc/33/70/45/1074337045.db2.gz UGBISSOTLBDPIT-UHFFFAOYSA-N -2 0 425.510 -0.201 20 0 IBADRL O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N=C2CCSCC2)[C@H](O)[C@@H]1O ZINC001201332691 1074409250 /nfs/dbraw/zinc/40/92/50/1074409250.db2.gz VAYUGMWWWQZXAL-SDBHATRESA-N -2 0 445.394 -0.013 20 0 IBADRL O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N=C2CCSCC2)[C@@H](O)[C@@H]1O ZINC001201333260 1074409146 /nfs/dbraw/zinc/40/91/46/1074409146.db2.gz VAYUGMWWWQZXAL-ADGXKJENSA-N -2 0 445.394 -0.013 20 0 IBADRL COC(=O)CCCS(=O)(=O)[N-]c1ncnc2c1ncn2CCOC[P@@](=O)([O-])O ZINC001201905001 1074413100 /nfs/dbraw/zinc/41/31/00/1074413100.db2.gz CLDIZZBOFQMTOF-UHFFFAOYSA-N -2 0 437.371 -0.327 20 0 IBADRL C[NH+]1CCC(=Nc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001208794326 1070826079 /nfs/dbraw/zinc/82/60/79/1070826079.db2.gz ORBFIRFUJHHFGO-YGSHXTJESA-N -2 0 442.369 -0.814 20 0 IBADRL O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2nccs2)[C@H](O)[C@@H]1O ZINC001210991009 1070925789 /nfs/dbraw/zinc/92/57/89/1070925789.db2.gz SGOCLQMLXHOMMR-WOUKDFQISA-N -2 0 430.339 -0.245 20 0 IBADRL O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3Nc2nccs2)[C@@H](O)[C@@H]1O ZINC001210991693 1073335861 /nfs/dbraw/zinc/33/58/61/1073335861.db2.gz SGOCLQMLXHOMMR-QRKAXHLRSA-N -2 0 430.339 -0.245 20 0 IBADRL O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N=C2CCCOC2)[C@H](O)[C@@H]1O ZINC001216505180 1073346368 /nfs/dbraw/zinc/34/63/68/1073346368.db2.gz JSSHRYQVZZVLOK-SDBHATRESA-N -2 0 429.326 -0.729 20 0 IBADRL O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N=C2CCCOC2)[C@@H](O)[C@@H]1O ZINC001216507495 1073346692 /nfs/dbraw/zinc/34/66/92/1073346692.db2.gz JSSHRYQVZZVLOK-ADGXKJENSA-N -2 0 429.326 -0.729 20 0 IBADRL O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1OC1CCC(O)CC1 ZINC001218367322 1073349123 /nfs/dbraw/zinc/34/91/23/1073349123.db2.gz WNOXZLFBYHRMGO-FDEMZPBOSA-N -2 0 446.353 -0.412 20 0 IBADRL O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1OC1CCC(O)CC1 ZINC001218367323 1073349132 /nfs/dbraw/zinc/34/91/32/1073349132.db2.gz WNOXZLFBYHRMGO-HQIPPXJTSA-N -2 0 446.353 -0.412 20 0 IBADRL O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1OC[C@H]1C[C@H](O)C1 ZINC001218424914 1073349416 /nfs/dbraw/zinc/34/94/16/1073349416.db2.gz BIGNEHHRCMMMMQ-FLETYATCSA-N -2 0 432.326 -0.944 20 0 IBADRL O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1OC[C@H]1C[C@H](O)C1 ZINC001218424915 1073349361 /nfs/dbraw/zinc/34/93/61/1073349361.db2.gz BIGNEHHRCMMMMQ-QDYOZFCWSA-N -2 0 432.326 -0.944 20 0 IBADRL O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1OC[C@H]1C[C@@H](O)C1 ZINC001218431975 1073349563 /nfs/dbraw/zinc/34/95/63/1073349563.db2.gz BIGNEHHRCMMMMQ-CYZRSLADSA-N -2 0 432.326 -0.944 20 0 IBADRL O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1OC[C@H]1C[C@@H](O)C1 ZINC001218431977 1073349791 /nfs/dbraw/zinc/34/97/91/1073349791.db2.gz BIGNEHHRCMMMMQ-VUMQMGDBSA-N -2 0 432.326 -0.944 20 0 IBADRL CCOC(=O)[C@H](N)C(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21 ZINC001218902133 1073368465 /nfs/dbraw/zinc/36/84/65/1073368465.db2.gz FNROBMOLBFAWBL-CYBMUJFWSA-N -2 0 448.431 -0.132 20 0 IBADRL CCOC(=O)[C@@H](N)C(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21 ZINC001218902140 1073368529 /nfs/dbraw/zinc/36/85/29/1073368529.db2.gz FNROBMOLBFAWBL-ZDUSSCGKSA-N -2 0 448.431 -0.132 20 0 IBADRL COC(=O)[C@@H](N)CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21 ZINC001218902750 1073368503 /nfs/dbraw/zinc/36/85/03/1073368503.db2.gz QDEBGMFSRUNVNL-JTQLQIEISA-N -2 0 448.431 -0.132 20 0 IBADRL CC(=O)OC[C@H](N)C(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21 ZINC001218902809 1073368356 /nfs/dbraw/zinc/36/83/56/1073368356.db2.gz SJARQYBDHCBAHG-NSHDSACASA-N -2 0 448.431 -0.132 20 0 IBADRL O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21)[C@@H]1COCCN1 ZINC001218902890 1073368566 /nfs/dbraw/zinc/36/85/66/1073368566.db2.gz VXFVAUUOJJOUEM-LBPRGKRZSA-N -2 0 432.432 -0.034 20 0 IBADRL CC(=O)OC[C@H](N)C(=O)Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2cccc(O)c21 ZINC001218919226 1073368793 /nfs/dbraw/zinc/36/87/93/1073368793.db2.gz IPGAHNQGVOVDFV-VIFPVBQESA-N -2 0 448.431 -0.132 20 0 IBADRL O=C(Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2cccc(O)c21)[C@@H]1COCCN1 ZINC001218919458 1073368833 /nfs/dbraw/zinc/36/88/33/1073368833.db2.gz ADRKIEXJHUGCAG-VIFPVBQESA-N -2 0 432.432 -0.034 20 0 IBADRL CCOC(=O)[C@H](N)C(=O)Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2cccc(O)c21 ZINC001218920155 1073368941 /nfs/dbraw/zinc/36/89/41/1073368941.db2.gz RQQSAOFAESVDAQ-GFCCVEGCSA-N -2 0 448.431 -0.132 20 0 IBADRL CCOC(=O)[C@@H](N)C(=O)Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2cccc(O)c21 ZINC001218920156 1073368900 /nfs/dbraw/zinc/36/89/00/1073368900.db2.gz RQQSAOFAESVDAQ-LBPRGKRZSA-N -2 0 448.431 -0.132 20 0 IBADRL COC(=O)[C@@H](N)CC(=O)Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2cccc(O)c21 ZINC001218920575 1073368934 /nfs/dbraw/zinc/36/89/34/1073368934.db2.gz XOYSTGPHCUXKDC-QMMMGPOBSA-N -2 0 448.431 -0.132 20 0 IBADRL O=C([O-])C[C@H](C(=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](O)C(=O)[O-] ZINC001222753940 1073436214 /nfs/dbraw/zinc/43/62/14/1073436214.db2.gz LDLUMAOADFKHMW-DZGCQCFKSA-N -2 0 431.419 -0.713 20 0 IBADRL O=C([O-])C[C@@H](C(=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](O)C(=O)[O-] ZINC001222753941 1073436454 /nfs/dbraw/zinc/43/64/54/1073436454.db2.gz LDLUMAOADFKHMW-HIFRSBDPSA-N -2 0 431.419 -0.713 20 0 IBADRL O=C([O-])C[C@@H](C(=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](O)C(=O)[O-] ZINC001222753942 1073436297 /nfs/dbraw/zinc/43/62/97/1073436297.db2.gz LDLUMAOADFKHMW-UKRRQHHQSA-N -2 0 431.419 -0.713 20 0 IBADRL O=C([O-])C[C@H](C(=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](O)C(=O)[O-] ZINC001222753943 1073436395 /nfs/dbraw/zinc/43/63/95/1073436395.db2.gz LDLUMAOADFKHMW-ZFWWWQNUSA-N -2 0 431.419 -0.713 20 0 IBADRL O=C(OCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001222755039 1073436328 /nfs/dbraw/zinc/43/63/28/1073436328.db2.gz ZKZCDHBKYHZRRV-CYBMUJFWSA-N -2 0 425.352 -0.779 20 0 IBADRL CS(=O)(=O)c1cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc(S(C)(=O)=O)c1 ZINC001222869889 1073437108 /nfs/dbraw/zinc/43/71/08/1073437108.db2.gz AHQXDTSWHVDJJJ-LLVKDONJSA-N -2 0 432.365 -0.993 20 0 IBADRL CS(=O)(=O)c1cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001222870931 1073437081 /nfs/dbraw/zinc/43/70/81/1073437081.db2.gz PVPKHORODIPFJH-AAEUAGOBSA-N -2 0 438.432 -0.927 20 0 IBADRL CS(=O)(=O)c1cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001222870932 1073436927 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