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1069431674 /nfs/dbraw/zinc/43/16/74/1069431674.db2.gz GVHLJEJXYKGOMJ-PDOXLSOOSA-N -1 0 451.841 -0.669 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc3ccccc3nc2N2CCCCC2)[C@@H](O)[C@@H]1O ZINC001161857869 1069432286 /nfs/dbraw/zinc/43/22/86/1069432286.db2.gz HAJGXQLIBKANCS-DINLJIAVSA-N -1 0 470.504 -0.341 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc3ccccc3nc2N2CCCCC2)[C@@H](O)[C@@H]1O ZINC001161857870 1069432291 /nfs/dbraw/zinc/43/22/91/1069432291.db2.gz HAJGXQLIBKANCS-HLTONANMSA-N -1 0 470.504 -0.341 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3c(Cl)cccc23)[C@@H](O)[C@@H]1O ZINC001161857895 1069432258 /nfs/dbraw/zinc/43/22/58/1069432258.db2.gz HWENWIQXUVLMGX-BCPMIOLYSA-N -1 0 456.260 -0.025 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3c(Cl)cccc23)[C@@H](O)[C@@H]1O ZINC001161857896 1069432270 /nfs/dbraw/zinc/43/22/70/1069432270.db2.gz HWENWIQXUVLMGX-SDAAFIMUSA-N -1 0 456.260 -0.025 20 0 JBADRM 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PRIXVTISWIFTIW-DCEZOGAWSA-N -1 0 455.219 -0.346 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NC(F)(F)c2ccnc(Cl)c2Cl)[C@@H](O)[C@@H]1O ZINC001161858099 1069432272 /nfs/dbraw/zinc/43/22/72/1069432272.db2.gz PRIXVTISWIFTIW-NAHXDTDZSA-N -1 0 455.219 -0.346 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc3ccc(Cl)cc3nc2Cl)[C@@H](O)[C@@H]1O ZINC001161858116 1069432296 /nfs/dbraw/zinc/43/22/96/1069432296.db2.gz PXSCOSSWDVOZDP-GIBVNIFISA-N -1 0 456.260 -0.025 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc3ccc(Cl)cc3nc2Cl)[C@@H](O)[C@@H]1O ZINC001161858117 1069432263 /nfs/dbraw/zinc/43/22/63/1069432263.db2.gz PXSCOSSWDVOZDP-GOBQNSBTSA-N -1 0 456.260 -0.025 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncccc2OCc2ccc(F)cc2)[C@@H](O)[C@@H]1O ZINC001161858138 1069432276 /nfs/dbraw/zinc/43/22/76/1069432276.db2.gz IAKFRKSYCJHIPR-HBPKQKSZSA-N -1 0 460.436 -0.161 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncccc2OCc2ccc(F)cc2)[C@@H](O)[C@@H]1O ZINC001161858143 1069432307 /nfs/dbraw/zinc/43/23/07/1069432307.db2.gz IAKFRKSYCJHIPR-XSDHEKCYSA-N -1 0 460.436 -0.161 20 0 JBADRM COc1cc2c(cc1Cl)ncnc2N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858176 1069432305 /nfs/dbraw/zinc/43/23/05/1069432305.db2.gz IMUFKIOAQZIVJB-FTQJZPFOSA-N -1 0 451.841 -0.669 20 0 JBADRM COc1cc2c(cc1Cl)ncnc2N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858178 1069432289 /nfs/dbraw/zinc/43/22/89/1069432289.db2.gz IMUFKIOAQZIVJB-HVNMYJMUSA-N -1 0 451.841 -0.669 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2ncnc3c2ccn3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001161858190 1069432836 /nfs/dbraw/zinc/43/28/36/1069432836.db2.gz IQQRYCHNLBFCLK-DINLJIAVSA-N -1 0 466.472 -0.482 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3c2ccn3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001161858191 1069432774 /nfs/dbraw/zinc/43/27/74/1069432774.db2.gz IQQRYCHNLBFCLK-HLTONANMSA-N -1 0 466.472 -0.482 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)cc(Cc3ccccc3)n2)[C@@H](O)[C@@H]1O ZINC001161858220 1069432755 /nfs/dbraw/zinc/43/27/55/1069432755.db2.gz IXBPUBGIDUJVCN-BTAUDXDXSA-N -1 0 461.880 -0.240 20 0 JBADRM COCc1cc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc(-c2ccccc2)n1 ZINC001161858233 1069432783 /nfs/dbraw/zinc/43/27/83/1069432783.db2.gz RCRTYFINFYCWNS-JOCABOTCSA-N -1 0 457.461 -0.671 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)cc(Cc3ccccc3)n2)[C@@H](O)[C@@H]1O ZINC001161858235 1069432831 /nfs/dbraw/zinc/43/28/31/1069432831.db2.gz IXBPUBGIDUJVCN-JPIRQXTESA-N -1 0 461.880 -0.240 20 0 JBADRM COc1ccc2c(cc(Cl)nc2N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001161858238 1069432845 /nfs/dbraw/zinc/43/28/45/1069432845.db2.gz IXNNDANBWJAXMH-GGXZVJIVSA-N -1 0 450.853 -0.064 20 0 JBADRM COCc1cc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc(-c2ccccc2)n1 ZINC001161858240 1069432814 /nfs/dbraw/zinc/43/28/14/1069432814.db2.gz RCRTYFINFYCWNS-YGSJXBCNSA-N -1 0 457.461 -0.671 20 0 JBADRM COc1ccc2c(cc(Cl)nc2N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001161858241 1069432849 /nfs/dbraw/zinc/43/28/49/1069432849.db2.gz IXNNDANBWJAXMH-VPOMQUIYSA-N -1 0 450.853 -0.064 20 0 JBADRM CCOC(=O)c1cnc(Cl)c(C)c1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001161858253 1069432821 /nfs/dbraw/zinc/43/28/21/1069432821.db2.gz IYNMJGDKDDKYMC-NZIXVDBUSA-N -1 0 456.857 -0.741 20 0 JBADRM CCOC(=O)c1cnc(Cl)c(C)c1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001161858255 1069432869 /nfs/dbraw/zinc/43/28/69/1069432869.db2.gz IYNMJGDKDDKYMC-WSWLIKMPSA-N -1 0 456.857 -0.741 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2cc3nc(Cl)cnc3cc2Cl)[C@@H](O)[C@@H]1O ZINC001161858289 1069432865 /nfs/dbraw/zinc/43/28/65/1069432865.db2.gz JTWQJSMINPUCFU-DKTYCGPESA-N -1 0 456.260 -0.025 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2cc3nc(Cl)cnc3cc2Cl)[C@@H](O)[C@@H]1O ZINC001161858290 1069432861 /nfs/dbraw/zinc/43/28/61/1069432861.db2.gz JTWQJSMINPUCFU-FZGMBXNASA-N -1 0 456.260 -0.025 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NC(F)(F)c2cnc(Cl)cc2Cl)[C@@H](O)[C@@H]1O ZINC001161858318 1069432805 /nfs/dbraw/zinc/43/28/05/1069432805.db2.gz ROXQBPGMPHUMCF-NENRSDFPSA-N -1 0 455.219 -0.346 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NC(F)(F)c2cnc(Cl)cc2Cl)[C@@H](O)[C@@H]1O ZINC001161858319 1069432827 /nfs/dbraw/zinc/43/28/27/1069432827.db2.gz ROXQBPGMPHUMCF-QVDPWDGTSA-N -1 0 455.219 -0.346 20 0 JBADRM CCOC(=O)c1ccc2nc(Cl)nc(N[C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)c2c1 ZINC001161858407 1069432792 /nfs/dbraw/zinc/43/27/92/1069432792.db2.gz KGGAXHVPPZNEOV-WWRHJZOGSA-N -1 0 493.878 -0.501 20 0 JBADRM CCOC(=O)c1ccc2nc(Cl)nc(N[C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)c2c1 ZINC001161858408 1069432856 /nfs/dbraw/zinc/43/28/56/1069432856.db2.gz KGGAXHVPPZNEOV-ZPFNRVMVSA-N -1 0 493.878 -0.501 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](Nc2nc(-c3ccccn3)nc3ccccc32)[C@@H](O)[C@@H]1O ZINC001161858413 1069432800 /nfs/dbraw/zinc/43/28/00/1069432800.db2.gz KKVDJBKMQTZDFD-DINLJIAVSA-N -1 0 464.456 -0.269 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(-c3ccccn3)nc3ccccc32)[C@@H](O)[C@@H]1O ZINC001161858414 1069432761 /nfs/dbraw/zinc/43/27/61/1069432761.db2.gz KKVDJBKMQTZDFD-HLTONANMSA-N -1 0 464.456 -0.269 20 0 JBADRM O=C(c1cccnc1N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)N1CCc2ccccc21 ZINC001161858455 1069433360 /nfs/dbraw/zinc/43/33/60/1069433360.db2.gz LSESXSQZHGDYQG-FLXNRXMOSA-N -1 0 481.483 -0.677 20 0 JBADRM O=C(c1cccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)N1CCc2ccccc21 ZINC001161858456 1069433370 /nfs/dbraw/zinc/43/33/70/1069433370.db2.gz LSESXSQZHGDYQG-RXFYRGCNSA-N -1 0 481.483 -0.677 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](Nc2nc(Cl)nc3cc(Cl)ccc32)[C@@H](O)[C@@H]1O ZINC001161858465 1069433413 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ZINC001185197671 1068793510 /nfs/dbraw/zinc/79/35/10/1068793510.db2.gz UAVJRZGYFNLLSN-RYUDHWBXSA-N -1 0 486.620 -0.112 20 0 JBADRM COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)CCC2 ZINC001185282560 1068794067 /nfs/dbraw/zinc/79/40/67/1068794067.db2.gz KHUQIOGDFHZVME-UHFFFAOYSA-N -1 0 480.499 -0.193 20 0 JBADRM COc1ccc(S(=O)(=O)N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)cc1C(=O)[O-] ZINC001185287910 1068794155 /nfs/dbraw/zinc/79/41/55/1068794155.db2.gz FCHRBABCUYPDRO-CXAGYDPISA-N -1 0 489.572 -0.104 20 0 JBADRM COc1ccc(S(=O)(=O)N2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)cc1C(=O)[O-] ZINC001185287952 1068794144 /nfs/dbraw/zinc/79/41/44/1068794144.db2.gz UAQGIVAMSOYOIT-FQEVSTJZSA-N -1 0 480.499 -0.050 20 0 JBADRM COc1ccc(S(=O)(=O)N2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)cc1C(=O)[O-] ZINC001185287953 1068794020 /nfs/dbraw/zinc/79/40/20/1068794020.db2.gz UAQGIVAMSOYOIT-HXUWFJFHSA-N -1 0 480.499 -0.050 20 0 JBADRM COc1ccc(S(=O)(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)cc1C(=O)[O-] ZINC001185288763 1068794130 /nfs/dbraw/zinc/79/41/30/1068794130.db2.gz UYZYQKLWAFMXSC-UHFFFAOYSA-N -1 0 453.477 -0.206 20 0 JBADRM COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001185295872 1068794081 /nfs/dbraw/zinc/79/40/81/1068794081.db2.gz NIIVPCDTQPMEOZ-HOTGVXAUSA-N -1 0 498.558 -0.321 20 0 JBADRM O=C(Cn1c2ccc(F)cc2nc1C1CCC1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001185306824 1068794036 /nfs/dbraw/zinc/79/40/36/1068794036.db2.gz DOPMUYWUKLRRCZ-OAIGWWADSA-N -1 0 489.478 -0.814 20 0 JBADRM O=C(Cn1c2ccc(F)cc2nc1C1CCC1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001185306830 1068793960 /nfs/dbraw/zinc/79/39/60/1068793960.db2.gz DOPMUYWUKLRRCZ-PMTZBRRQSA-N -1 0 489.478 -0.814 20 0 JBADRM COc1ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCO)cc1C(=O)[O-] ZINC001185327120 1068794923 /nfs/dbraw/zinc/79/49/23/1068794923.db2.gz ZEFLNMQIZVFLDC-UHFFFAOYSA-N -1 0 495.547 -0.253 20 0 JBADRM COc1ccc(S(=O)(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc1C(=O)[O-] ZINC001185332608 1068794727 /nfs/dbraw/zinc/79/47/27/1068794727.db2.gz MJYOMZBEQHDXOC-NWANDNLSSA-N -1 0 455.445 -0.409 20 0 JBADRM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185340797 1068794877 /nfs/dbraw/zinc/79/48/77/1068794877.db2.gz MMYFILUNEZRLLU-DCAQKATOSA-N -1 0 459.477 -0.757 20 0 JBADRM COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)cc1C(=O)[O-] ZINC001185340876 1068794872 /nfs/dbraw/zinc/79/48/72/1068794872.db2.gz NMAUOLNTLDKLOJ-HNNXBMFYSA-N -1 0 451.457 -0.410 20 0 JBADRM COC(=O)[C@H](CCCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)NC(=O)CNC(C)=O ZINC001185340963 1068794664 /nfs/dbraw/zinc/79/46/64/1068794664.db2.gz QLPJIHMPYDXTRR-HNNXBMFYSA-N -1 0 473.504 -0.364 20 0 JBADRM COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1C(=O)[O-] ZINC001185341061 1068794883 /nfs/dbraw/zinc/79/48/83/1068794883.db2.gz WEIUYBFBRVVRKM-HNNXBMFYSA-N -1 0 451.457 -0.410 20 0 JBADRM COc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1C(=O)[O-] ZINC001185341151 1068794807 /nfs/dbraw/zinc/79/48/07/1068794807.db2.gz ZEMIOJDTMZULPQ-HOTGVXAUSA-N -1 0 465.484 -0.755 20 0 JBADRM CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)c2ccsc2)[C@H](O)[C@@H]1O ZINC001185352054 1068794934 /nfs/dbraw/zinc/79/49/34/1068794934.db2.gz JNSVQMZPXNHFSI-MEQWQQMJSA-N -1 0 454.490 -0.556 20 0 JBADRM C[C@H]1[C@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001185417512 1068795354 /nfs/dbraw/zinc/79/53/54/1068795354.db2.gz FAKGWXLYBZTSIB-NOLJZWGESA-N -1 0 484.531 -0.243 20 0 JBADRM NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185424881 1068795411 /nfs/dbraw/zinc/79/54/11/1068795411.db2.gz BGKYCSACMFLPCR-KRQFVHPKSA-N -1 0 454.486 -0.391 20 0 JBADRM COc1nc(OC)c(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1Br ZINC001185441497 1068795373 /nfs/dbraw/zinc/79/53/73/1068795373.db2.gz NDZQKQRKQWRSRF-UHFFFAOYSA-N -1 0 465.242 -0.428 20 0 JBADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185458529 1068795871 /nfs/dbraw/zinc/79/58/71/1068795871.db2.gz ITYCHHGEWSFZOU-JQLJIJSLSA-N -1 0 489.449 -0.160 20 0 JBADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001185458530 1068795849 /nfs/dbraw/zinc/79/58/49/1068795849.db2.gz ITYCHHGEWSFZOU-SVEODPQUSA-N -1 0 489.449 -0.160 20 0 JBADRM CC(C)(C)OC(=O)N1CC(=O)CC[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001185518334 1068795767 /nfs/dbraw/zinc/79/57/67/1068795767.db2.gz MHEBQPBYSFWTKQ-GJZGRUSLSA-N -1 0 451.480 -0.004 20 0 JBADRM CC(C)(C)OC(=O)N1CC(=O)CC[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001185518342 1068795951 /nfs/dbraw/zinc/79/59/51/1068795951.db2.gz MHEBQPBYSFWTKQ-LSDHHAIUSA-N -1 0 451.480 -0.004 20 0 JBADRM CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[N-]C#N ZINC001185592352 1068803610 /nfs/dbraw/zinc/80/36/10/1068803610.db2.gz YRPDLQIDOPCKRH-MOROJQBDSA-N -1 0 485.526 -0.393 20 0 JBADRM O=S(=O)([N-]c1ccccc1S(=O)(=O)N1CCN(CCO)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001185598146 1068804054 /nfs/dbraw/zinc/80/40/54/1068804054.db2.gz MHNXMHKMXXPLJF-UHFFFAOYSA-N -1 0 493.571 -0.034 20 0 JBADRM Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)nn1 ZINC001185652760 1068805501 /nfs/dbraw/zinc/80/55/01/1068805501.db2.gz BSYAZGVIPVJSCC-KBXCAEBGSA-N -1 0 471.455 -0.620 20 0 JBADRM Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)nn1 ZINC001185652761 1068805960 /nfs/dbraw/zinc/80/59/60/1068805960.db2.gz BSYAZGVIPVJSCC-KDOFPFPSSA-N -1 0 471.455 -0.620 20 0 JBADRM Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)nn1 ZINC001185652762 1068806029 /nfs/dbraw/zinc/80/60/29/1068806029.db2.gz BSYAZGVIPVJSCC-KSSFIOAISA-N -1 0 471.455 -0.620 20 0 JBADRM Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)nn1 ZINC001185652763 1068805618 /nfs/dbraw/zinc/80/56/18/1068805618.db2.gz BSYAZGVIPVJSCC-RDTXWAMCSA-N -1 0 471.455 -0.620 20 0 JBADRM CN(CC(=O)N1CC[C@H]2C(=O)N(C)C[C@H](COCC3CC3)[C@H]2CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652793 1068805816 /nfs/dbraw/zinc/80/58/16/1068805816.db2.gz BUEWQRSTEMFVKS-BZUAXINKSA-N -1 0 459.484 -0.095 20 0 JBADRM CN(CC(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652947 1068805735 /nfs/dbraw/zinc/80/57/35/1068805735.db2.gz CJLAWOOXNKWMMY-INIZCTEOSA-N -1 0 461.437 -0.742 20 0 JBADRM CN(CC(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185652959 1068805595 /nfs/dbraw/zinc/80/55/95/1068805595.db2.gz CJLAWOOXNKWMMY-MRXNPFEDSA-N -1 0 461.437 -0.742 20 0 JBADRM CCOC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653403 1068805708 /nfs/dbraw/zinc/80/57/08/1068805708.db2.gz FIAXUUDYAXEWHD-RWMBFGLXSA-N -1 0 477.455 -0.065 20 0 JBADRM CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653438 1068805573 /nfs/dbraw/zinc/80/55/73/1068805573.db2.gz GAIIYCVHLLIFRN-LLVKDONJSA-N -1 0 451.417 -0.454 20 0 JBADRM CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653442 1068806535 /nfs/dbraw/zinc/80/65/35/1068806535.db2.gz GAIIYCVHLLIFRN-NSHDSACASA-N -1 0 451.417 -0.454 20 0 JBADRM CN(CC(=O)N1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653514 1068806597 /nfs/dbraw/zinc/80/65/97/1068806597.db2.gz GFEKMZAYSMRWRQ-GOSISDBHSA-N -1 0 470.398 -0.262 20 0 JBADRM CN(CC(=O)N1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653532 1068806557 /nfs/dbraw/zinc/80/65/57/1068806557.db2.gz GFEKMZAYSMRWRQ-SFHVURJKSA-N -1 0 470.398 -0.262 20 0 JBADRM CN(CC(=O)N1CC[C@@H]2[C@@H](CO[C@@H]2CC(=O)NCc2ccco2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653831 1068806447 /nfs/dbraw/zinc/80/64/47/1068806447.db2.gz IMQWAIWJLYYTEQ-BPLDGKMQSA-N -1 0 457.424 -0.302 20 0 JBADRM CN(CC(=O)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653884 1068806390 /nfs/dbraw/zinc/80/63/90/1068806390.db2.gz JPAUMPROWJFZGC-GFCCVEGCSA-N -1 0 450.396 -0.254 20 0 JBADRM CN(CC(=O)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653887 1068806328 /nfs/dbraw/zinc/80/63/28/1068806328.db2.gz JPAUMPROWJFZGC-LBPRGKRZSA-N -1 0 450.396 -0.254 20 0 JBADRM CN(CC(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653891 1068806639 /nfs/dbraw/zinc/80/66/39/1068806639.db2.gz JSBJTTYWURZFJV-UHFFFAOYSA-N -1 0 481.406 -0.953 20 0 JBADRM CN(CC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2ccccc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653894 1068806353 /nfs/dbraw/zinc/80/63/53/1068806353.db2.gz JULJTMIPDBFNSC-DNVCBOLYSA-N -1 0 453.436 -0.631 20 0 JBADRM CN(CC(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653908 1068806703 /nfs/dbraw/zinc/80/67/03/1068806703.db2.gz JXMMGJJNFXEAKZ-YQQAZPJKSA-N -1 0 482.478 -0.457 20 0 JBADRM CN(CC(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654002 1068806738 /nfs/dbraw/zinc/80/67/38/1068806738.db2.gz LJFAXJUZCZKPQY-IMJJTQAJSA-N -1 0 468.451 -0.705 20 0 JBADRM COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185654041 1068806427 /nfs/dbraw/zinc/80/64/27/1068806427.db2.gz LXYQBDMZJSZUEY-CYBMUJFWSA-N -1 0 481.512 -0.643 20 0 JBADRM COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185654049 1068806577 /nfs/dbraw/zinc/80/65/77/1068806577.db2.gz LXYQBDMZJSZUEY-ZDUSSCGKSA-N -1 0 481.512 -0.643 20 0 JBADRM CN(CC(=O)N1Cc2nnn(C)c2[C@@H](COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654069 1068806371 /nfs/dbraw/zinc/80/63/71/1068806371.db2.gz MGSCULVEXITJDN-CYBMUJFWSA-N -1 0 452.412 -0.598 20 0 JBADRM CN(CC(=O)N1Cc2nnn(C)c2[C@H](COCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654075 1068806721 /nfs/dbraw/zinc/80/67/21/1068806721.db2.gz MGSCULVEXITJDN-ZDUSSCGKSA-N -1 0 452.412 -0.598 20 0 JBADRM CN(CC(=O)N1Cc2ncnn2C2(CCN(C(=O)OC(C)(C)C)CC2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654290 1068807082 /nfs/dbraw/zinc/80/70/82/1068807082.db2.gz MUHOHVSDFBEORS-UHFFFAOYSA-N -1 0 486.470 -0.105 20 0 JBADRM CN(CC(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654392 1068807016 /nfs/dbraw/zinc/80/70/16/1068807016.db2.gz PIGYFLFEQXZPSO-UHFFFAOYSA-N -1 0 452.412 -0.957 20 0 JBADRM CN(CC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654418 1068807239 /nfs/dbraw/zinc/80/72/39/1068807239.db2.gz PUTRCHBCZVKEIS-RDBSUJKOSA-N -1 0 483.495 -0.221 20 0 JBADRM CN(CC(=O)N1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cscn1)O2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654754 1068807196 /nfs/dbraw/zinc/80/71/96/1068807196.db2.gz RPKBSFSPJWYKSM-YVEFUNNKSA-N -1 0 474.480 -0.038 20 0 JBADRM C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185654829 1068806907 /nfs/dbraw/zinc/80/69/07/1068806907.db2.gz SJYJLELAHCJEJK-GFCCVEGCSA-N -1 0 457.428 -0.918 20 0 JBADRM C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185654831 1068807151 /nfs/dbraw/zinc/80/71/51/1068807151.db2.gz SJYJLELAHCJEJK-LBPRGKRZSA-N -1 0 457.428 -0.918 20 0 JBADRM CN(CC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654875 1068806880 /nfs/dbraw/zinc/80/68/80/1068806880.db2.gz SRJRLVOYCRHGCX-RDTXWAMCSA-N -1 0 454.424 -0.746 20 0 JBADRM COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185654906 1068807002 /nfs/dbraw/zinc/80/70/02/1068807002.db2.gz SUKJJXPARYPRLD-UHFFFAOYSA-N -1 0 468.451 -0.056 20 0 JBADRM CN(CC(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655228 1068807095 /nfs/dbraw/zinc/80/70/95/1068807095.db2.gz VGCVUMGVKOYRBR-RRFJBIMHSA-N -1 0 454.424 -0.890 20 0 JBADRM CN(C)C(=O)CN1CC[C@]2(CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C[C@H]2c2ccccc2)C1=O ZINC001185655260 1068807053 /nfs/dbraw/zinc/80/70/53/1068807053.db2.gz VRXQKKHAEJUISZ-HRAATJIYSA-N -1 0 494.489 -0.532 20 0 JBADRM CN(CC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655294 1068807259 /nfs/dbraw/zinc/80/72/59/1068807259.db2.gz WOOVASRDSZMJSF-SJKOYZFVSA-N -1 0 459.465 -0.569 20 0 JBADRM CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCC2 ZINC001185655332 1068807215 /nfs/dbraw/zinc/80/72/15/1068807215.db2.gz XVFRHWKTBFXCMQ-UHFFFAOYSA-N -1 0 471.455 -0.813 20 0 JBADRM CN(CC(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@]2(CCNC2=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655455 1068806983 /nfs/dbraw/zinc/80/69/83/1068806983.db2.gz ZGGZMRADUFDWMX-GOSISDBHSA-N -1 0 474.455 -0.879 20 0 JBADRM CN(CC(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@@]2(CCNC2=O)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655456 1068807035 /nfs/dbraw/zinc/80/70/35/1068807035.db2.gz ZGGZMRADUFDWMX-SFHVURJKSA-N -1 0 474.455 -0.879 20 0 JBADRM Cc1cccc(CN2CCO[C@H]3CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC[C@H]3C2=O)n1 ZINC001185655462 1068807623 /nfs/dbraw/zinc/80/76/23/1068807623.db2.gz ZHAIJKDMERMRIU-CVEARBPZSA-N -1 0 468.451 -0.485 20 0 JBADRM CN(CC(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185655487 1068807839 /nfs/dbraw/zinc/80/78/39/1068807839.db2.gz ZMGBYYCAQRZQIM-LZWOXQAQSA-N -1 0 454.424 -0.634 20 0 JBADRM COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185655514 1068807901 /nfs/dbraw/zinc/80/79/01/1068807901.db2.gz ZPSISNGLFHNVST-UHFFFAOYSA-N -1 0 479.434 -0.255 20 0 JBADRM CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC1 ZINC001185655896 1068807795 /nfs/dbraw/zinc/80/77/95/1068807795.db2.gz AETNPORCIUGYLM-UHFFFAOYSA-N -1 0 455.456 -0.239 20 0 JBADRM CN(CC(=O)n1c([C@@H]2COCCN2)nccc1=NCc1ccco1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656213 1068807570 /nfs/dbraw/zinc/80/75/70/1068807570.db2.gz DCRHAUKQWONTSE-NONDHBLVSA-N -1 0 453.396 -0.573 20 0 JBADRM CN(CC(=O)n1c([C@H]2COCCN2)nccc1=NCc1ccco1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656221 1068807547 /nfs/dbraw/zinc/80/75/47/1068807547.db2.gz DCRHAUKQWONTSE-SBGWBMIRSA-N -1 0 453.396 -0.573 20 0 JBADRM COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)C2=O)cc1 ZINC001185656543 1068807648 /nfs/dbraw/zinc/80/76/48/1068807648.db2.gz FYZLLKBDYXEKBD-GOSISDBHSA-N -1 0 468.407 -0.733 20 0 JBADRM COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C3)C2=O)cc1 ZINC001185656546 1068807808 /nfs/dbraw/zinc/80/78/08/1068807808.db2.gz FYZLLKBDYXEKBD-SFHVURJKSA-N -1 0 468.407 -0.733 20 0 JBADRM CN(CC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656584 1068807695 /nfs/dbraw/zinc/80/76/95/1068807695.db2.gz GOKPMIMGGISICJ-CRAIPNDOSA-N -1 0 473.492 -0.261 20 0 JBADRM CN(CC(=O)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656597 1068807738 /nfs/dbraw/zinc/80/77/38/1068807738.db2.gz GOKPMIMGGISICJ-MAUKXSAKSA-N -1 0 473.492 -0.261 20 0 JBADRM CN(CC(=O)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656599 1068807876 /nfs/dbraw/zinc/80/78/76/1068807876.db2.gz GOKPMIMGGISICJ-QAPCUYQASA-N -1 0 473.492 -0.261 20 0 JBADRM CN(CC(=O)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656600 1068807756 /nfs/dbraw/zinc/80/77/56/1068807756.db2.gz GOKPMIMGGISICJ-YJBOKZPZSA-N -1 0 473.492 -0.261 20 0 JBADRM CN(CC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656885 1068807716 /nfs/dbraw/zinc/80/77/16/1068807716.db2.gz JLEODQJPGYIFTR-UHFFFAOYSA-N -1 0 454.424 -0.650 20 0 JBADRM CN(CC(=O)N1CC[C@H]2O[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]21)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657167 1068807599 /nfs/dbraw/zinc/80/75/99/1068807599.db2.gz OAHWVVHULNGTJU-KFWWJZLASA-N -1 0 454.424 -0.653 20 0 JBADRM CN(CC(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657184 1068807676 /nfs/dbraw/zinc/80/76/76/1068807676.db2.gz OUYBYXHGZXIDRV-GOSISDBHSA-N -1 0 453.392 -0.080 20 0 JBADRM CN(CC(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657185 1068807859 /nfs/dbraw/zinc/80/78/59/1068807859.db2.gz OUYBYXHGZXIDRV-SFHVURJKSA-N -1 0 453.392 -0.080 20 0 JBADRM CN(CC(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657210 1068807473 /nfs/dbraw/zinc/80/74/73/1068807473.db2.gz PWMZSLDTGIHGCZ-IXDOHACOSA-N -1 0 482.478 -0.457 20 0 JBADRM CN(CC(=O)N1CCC[C@@]2(C1)COCCN(c1ncc(F)cn1)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657217 1068807500 /nfs/dbraw/zinc/80/75/00/1068807500.db2.gz QAEIKMUQGUUBNR-KRWDZBQOSA-N -1 0 459.419 -0.390 20 0 JBADRM CN(CC(=O)N1CCC[C@]2(C1)COCCN(c1ncc(F)cn1)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657218 1068808374 /nfs/dbraw/zinc/80/83/74/1068808374.db2.gz QAEIKMUQGUUBNR-QGZVFWFLSA-N -1 0 459.419 -0.390 20 0 JBADRM CN(CC(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657227 1068808227 /nfs/dbraw/zinc/80/82/27/1068808227.db2.gz QEHHAWDPYDGGRO-SOUVJXGZSA-N -1 0 454.424 -0.776 20 0 JBADRM CN(CC(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657233 1068808358 /nfs/dbraw/zinc/80/83/58/1068808358.db2.gz QLTMFLHBQKILIY-GOSISDBHSA-N -1 0 467.423 -0.616 20 0 JBADRM CN(CC(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657234 1068808272 /nfs/dbraw/zinc/80/82/72/1068808272.db2.gz QLTMFLHBQKILIY-SFHVURJKSA-N -1 0 467.423 -0.616 20 0 JBADRM CN(CC(=O)N1CCC[C@@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657245 1068808479 /nfs/dbraw/zinc/80/84/79/1068808479.db2.gz QRZVYHARIAEFCI-CYBMUJFWSA-N -1 0 465.444 -0.014 20 0 JBADRM CN(CC(=O)N1CCC[C@H](N(C)S(=O)(=O)c2ccc(F)cc2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657246 1068808392 /nfs/dbraw/zinc/80/83/92/1068808392.db2.gz QRZVYHARIAEFCI-ZDUSSCGKSA-N -1 0 465.444 -0.014 20 0 JBADRM CN(CC(=O)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657279 1068808411 /nfs/dbraw/zinc/80/84/11/1068808411.db2.gz RSFWHMSPWIXQMR-UHFFFAOYSA-N -1 0 452.452 -0.472 20 0 JBADRM CN(CC(=O)N1CC[C@@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657328 1068808462 /nfs/dbraw/zinc/80/84/62/1068808462.db2.gz UAQKAUVOIKYLMB-GOSISDBHSA-N -1 0 456.415 -0.376 20 0 JBADRM CN(CC(=O)N1CC[C@]2(C1)CN(c1cccc(F)c1)C(=O)CN2C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657329 1068808089 /nfs/dbraw/zinc/80/80/89/1068808089.db2.gz UAQKAUVOIKYLMB-SFHVURJKSA-N -1 0 456.415 -0.376 20 0 JBADRM COc1cc2ncnc(N3CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC3)c2cc1OC ZINC001185657353 1068808205 /nfs/dbraw/zinc/80/82/05/1068808205.db2.gz VCQIUGLVMRYFMB-UHFFFAOYSA-N -1 0 467.423 -0.156 20 0 JBADRM COc1ccc(S(=O)(=O)NC2CCN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2)cc1 ZINC001185661016 1068809048 /nfs/dbraw/zinc/80/90/48/1068809048.db2.gz BTXDYIBHYPOPEA-UHFFFAOYSA-N -1 0 463.453 -0.487 20 0 JBADRM CCOC(=O)CN(CCCNC(=O)OC(C)(C)C)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661296 1068809191 /nfs/dbraw/zinc/80/91/91/1068809191.db2.gz HETVUVLJRIBABA-UHFFFAOYSA-N -1 0 453.433 -0.158 20 0 JBADRM CN(CC(=O)N(c1ccc(Cl)nn1)S(=O)(=O)c1ccc(N)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661343 1068809100 /nfs/dbraw/zinc/80/91/00/1068809100.db2.gz IZOFRIOQCKCZPR-UHFFFAOYSA-N -1 0 477.827 -0.017 20 0 JBADRM COc1ccc(N(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001185661351 1068808937 /nfs/dbraw/zinc/80/89/37/1068808937.db2.gz JHUCJJKKMIEBNG-UHFFFAOYSA-N -1 0 473.408 -0.662 20 0 JBADRM CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCO1 ZINC001185662182 1068809123 /nfs/dbraw/zinc/80/91/23/1068809123.db2.gz PIEMLNSDAVZLAE-CYBMUJFWSA-N -1 0 469.395 -0.645 20 0 JBADRM CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCO1 ZINC001185662183 1068808816 /nfs/dbraw/zinc/80/88/16/1068808816.db2.gz PIEMLNSDAVZLAE-ZDUSSCGKSA-N -1 0 469.395 -0.645 20 0 JBADRM CN(CC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662207 1068808962 /nfs/dbraw/zinc/80/89/62/1068808962.db2.gz QMHOIPKMRGEPNB-UHFFFAOYSA-N -1 0 455.456 -0.616 20 0 JBADRM CN(CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662315 1068809136 /nfs/dbraw/zinc/80/91/36/1068809136.db2.gz BGPZDDHGFWZHJC-ZDUSSCGKSA-N -1 0 488.413 -0.347 20 0 JBADRM CN(CC(=O)n1c(Cl)cncc1=NS(=O)(=O)c1ccc(N)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662528 1068809178 /nfs/dbraw/zinc/80/91/78/1068809178.db2.gz CQVZNZIGQPCJMG-UHFFFAOYSA-N -1 0 477.827 -0.403 20 0 JBADRM COC(=O)C1(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC001185662563 1068809076 /nfs/dbraw/zinc/80/90/76/1068809076.db2.gz DKFQGBSXSGEDMM-UHFFFAOYSA-N -1 0 451.417 -0.406 20 0 JBADRM CN(CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)OC(C)(C)C)CCC2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662674 1068809152 /nfs/dbraw/zinc/80/91/52/1068809152.db2.gz DSSBZRZPOOYKSX-UHFFFAOYSA-N -1 0 487.454 -0.451 20 0 JBADRM CN(CC(=O)NC[C@@H]1CO[C@]2(C1)COCCN(C(=O)OC(C)(C)C)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662682 1068808869 /nfs/dbraw/zinc/80/88/69/1068808869.db2.gz DSUWXTDFHBHPBK-ACJLOTCBSA-N -1 0 479.471 -0.306 20 0 JBADRM CN(CC(=O)NC[C@@H]1CO[C@@]2(C1)COCCN(C(=O)OC(C)(C)C)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662692 1068808997 /nfs/dbraw/zinc/80/89/97/1068808997.db2.gz DSUWXTDFHBHPBK-FZKQIMNGSA-N -1 0 479.471 -0.306 20 0 JBADRM CN(CC(=O)NC[C@H]1CO[C@@]2(C1)COCCN(C(=O)OC(C)(C)C)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662695 1068809015 /nfs/dbraw/zinc/80/90/15/1068809015.db2.gz DSUWXTDFHBHPBK-SCLBCKFNSA-N -1 0 479.471 -0.306 20 0 JBADRM CN(CC(=O)NC[C@H]1CO[C@]2(C1)COCCN(C(=O)OC(C)(C)C)C2)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662697 1068809033 /nfs/dbraw/zinc/80/90/33/1068809033.db2.gz DSUWXTDFHBHPBK-UGSOOPFHSA-N -1 0 479.471 -0.306 20 0 JBADRM C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc2)C[C@H](C)O1 ZINC001185662751 1068809165 /nfs/dbraw/zinc/80/91/65/1068809165.db2.gz VIGVIFXHEJZRQD-RYUDHWBXSA-N -1 0 463.453 -0.028 20 0 JBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc2)C[C@H](C)O1 ZINC001185662753 1068808843 /nfs/dbraw/zinc/80/88/43/1068808843.db2.gz VIGVIFXHEJZRQD-TXEJJXNPSA-N -1 0 463.453 -0.028 20 0 JBADRM C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cc2)C[C@@H](C)O1 ZINC001185662754 1068808895 /nfs/dbraw/zinc/80/88/95/1068808895.db2.gz VIGVIFXHEJZRQD-VXGBXAGGSA-N -1 0 463.453 -0.028 20 0 JBADRM CN(CC(=O)N(c1cncc(Cl)n1)S(=O)(=O)c1ccc(N)cc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662773 1068809776 /nfs/dbraw/zinc/80/97/76/1068809776.db2.gz WAADRSQQUCKWGT-UHFFFAOYSA-N -1 0 477.827 -0.017 20 0 JBADRM COC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185663270 1068809581 /nfs/dbraw/zinc/80/95/81/1068809581.db2.gz YEASAKVYTGLFDL-KPZWWZAWSA-N -1 0 477.455 -0.064 20 0 JBADRM COC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185663276 1068809744 /nfs/dbraw/zinc/80/97/44/1068809744.db2.gz YEASAKVYTGLFDL-KZULUSFZSA-N -1 0 477.455 -0.064 20 0 JBADRM COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185663279 1068809474 /nfs/dbraw/zinc/80/94/74/1068809474.db2.gz YEASAKVYTGLFDL-SGTLLEGYSA-N -1 0 477.455 -0.064 20 0 JBADRM COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185663284 1068809550 /nfs/dbraw/zinc/80/95/50/1068809550.db2.gz YEASAKVYTGLFDL-XIKOKIGWSA-N -1 0 477.455 -0.064 20 0 JBADRM CN(CC(=O)N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664282 1068809730 /nfs/dbraw/zinc/80/97/30/1068809730.db2.gz 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ZINC001197999077 1068949496 /nfs/dbraw/zinc/94/94/96/1068949496.db2.gz MPTZZSVFGVLYHI-HNNXBMFYSA-N -1 0 474.905 -0.005 20 0 JBADRM CC(=O)N1CC2(C1)CN(C(=O)c1cc(-n3ncc(=O)[n-]c3=O)ccc1Cl)C[C@@H]2C(=O)N(C)C ZINC001197999078 1068949379 /nfs/dbraw/zinc/94/93/79/1068949379.db2.gz MPTZZSVFGVLYHI-OAHLLOKOSA-N -1 0 474.905 -0.005 20 0 JBADRM Cc1cn([C@H]2C[C@H](NC(=O)c3cc(-n4ncc(=O)[n-]c4=O)ccc3Cl)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001198006137 1068949469 /nfs/dbraw/zinc/94/94/69/1068949469.db2.gz CJFZZJKYKWACEX-SQWLQELKSA-N -1 0 490.860 -0.364 20 0 JBADRM NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl ZINC001198007814 1068949360 /nfs/dbraw/zinc/94/93/60/1068949360.db2.gz RFJFYWLWQKZZIG-INIZCTEOSA-N -1 0 470.873 -0.071 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)c2ccccc2Oc2ccccc2)[C@@H](O)[C@@H]1O ZINC001198491435 1068952434 /nfs/dbraw/zinc/95/24/34/1068952434.db2.gz SZBQLGQVRUMOCL-FGTAOJJYSA-N -1 0 491.496 -0.616 20 0 JBADRM O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)c2ccccc2Oc2ccccc2)[C@@H](O)[C@@H]1O ZINC001198491436 1068952483 /nfs/dbraw/zinc/95/24/83/1068952483.db2.gz SZBQLGQVRUMOCL-JVNHZCFISA-N -1 0 491.496 -0.616 20 0 JBADRM Cc1nn(Cc2cccc(C)c2)c(C)c1C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001198523108 1068952972 /nfs/dbraw/zinc/95/29/72/1068952972.db2.gz XCJOHQNAFLWCDZ-JQLJIJSLSA-N -1 0 485.515 -0.787 20 0 JBADRM Cc1nn(Cc2cccc(C)c2)c(C)c1C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001198523109 1068952898 /nfs/dbraw/zinc/95/28/98/1068952898.db2.gz XCJOHQNAFLWCDZ-SVEODPQUSA-N -1 0 485.515 -0.787 20 0 JBADRM C=CS(=O)(=O)[N-]c1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001198573009 1068953351 /nfs/dbraw/zinc/95/33/51/1068953351.db2.gz ILZCWAMHLWRJKM-QYVSTXNMSA-N -1 0 482.256 -0.467 20 0 JBADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001198701995 1068954522 /nfs/dbraw/zinc/95/45/22/1068954522.db2.gz WIEYLRHRVXAJIG-PTERYMMESA-N -1 0 476.891 -0.277 20 0 JBADRM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001198707930 1068955306 /nfs/dbraw/zinc/95/53/06/1068955306.db2.gz WIEYLRHRVXAJIG-VUGYMSSZSA-N -1 0 476.891 -0.277 20 0 JBADRM COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccccc1C(=O)[O-])CCC2 ZINC001198751356 1068955328 /nfs/dbraw/zinc/95/53/28/1068955328.db2.gz XQVABMNBANOHLP-UHFFFAOYSA-N -1 0 450.473 -0.201 20 0 JBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001198756753 1068955275 /nfs/dbraw/zinc/95/52/75/1068955275.db2.gz QMOIYEXRDCYEAO-FRFSOERESA-N -1 0 472.541 -0.333 20 0 JBADRM O=C([O-])c1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001198756757 1068955336 /nfs/dbraw/zinc/95/53/36/1068955336.db2.gz QMOIYEXRDCYEAO-YSVLISHTSA-N -1 0 472.541 -0.333 20 0 JBADRM Cn1cc(N2C[C@@]3(COCCN(S(=O)(=O)c4ccccc4C(=O)[O-])C3)OCC2=O)cn1 ZINC001198757360 1068955366 /nfs/dbraw/zinc/95/53/66/1068955366.db2.gz ZNARJFXBBUFEDU-IBGZPJMESA-N -1 0 450.473 -0.059 20 0 JBADRM Cn1cc(N2C[C@]3(COCCN(S(=O)(=O)c4ccccc4C(=O)[O-])C3)OCC2=O)cn1 ZINC001198757369 1068955301 /nfs/dbraw/zinc/95/53/01/1068955301.db2.gz ZNARJFXBBUFEDU-LJQANCHMSA-N -1 0 450.473 -0.059 20 0 JBADRM CN(C)C(=O)CN1C[C@H]2CCN(S(=O)(=O)c3ccccc3C(=O)[O-])CC[C@H]2S1(=O)=O ZINC001198761705 1068955112 /nfs/dbraw/zinc/95/51/12/1068955112.db2.gz UKBYWLNYFVHYLR-UKRRQHHQSA-N -1 0 459.546 -0.112 20 0 JBADRM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(=O)[O-])C(=O)NCC(N)=O ZINC001198762495 1068955126 /nfs/dbraw/zinc/95/51/26/1068955126.db2.gz GTYNYVQXBMZJAC-GJZGRUSLSA-N -1 0 468.532 -0.330 20 0 JBADRM O=C([O-])c1ccccc1S(=O)(=O)NCCOCCOCCOCCOCCOCCO ZINC001198801474 1068955819 /nfs/dbraw/zinc/95/58/19/1068955819.db2.gz IHPNLIPBDIJOJE-UHFFFAOYSA-N -1 0 465.521 -0.262 20 0 JBADRM CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199014591 1068956918 /nfs/dbraw/zinc/95/69/18/1068956918.db2.gz PRVUPAOVENZNGM-NHYWBVRUSA-N -1 0 492.532 -0.370 20 0 JBADRM CC(C)n1cc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)cnc1=O ZINC001199243896 1068959239 /nfs/dbraw/zinc/95/92/39/1068959239.db2.gz NKLZTAMUQNSCEL-FIHUPRISSA-N -1 0 493.373 -0.010 20 0 JBADRM CC(C)n1cc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)cnc1=O ZINC001199243897 1068959432 /nfs/dbraw/zinc/95/94/32/1068959432.db2.gz NKLZTAMUQNSCEL-HWAANXBSSA-N -1 0 493.373 -0.010 20 0 JBADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc(-c2cccc(Cl)c2)no1 ZINC001199317973 1068961211 /nfs/dbraw/zinc/96/12/11/1068961211.db2.gz PNCRQWZRIBSADG-PAURTPPISA-N -1 0 464.836 -0.648 20 0 JBADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc(-c2cccc(Cl)c2)no1 ZINC001199317974 1068961267 /nfs/dbraw/zinc/96/12/67/1068961267.db2.gz PNCRQWZRIBSADG-UTGUJQJDSA-N -1 0 464.836 -0.648 20 0 JBADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cnc(Cl)c(Cl)c1Cl ZINC001199339332 1068960520 /nfs/dbraw/zinc/96/05/20/1068960520.db2.gz NBQQBYSPDDEWPU-LWRPWIKASA-N -1 0 467.667 -0.601 20 0 JBADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cnc(Cl)c(Cl)c1Cl ZINC001199339333 1068960434 /nfs/dbraw/zinc/96/04/34/1068960434.db2.gz NBQQBYSPDDEWPU-XFFOSJLESA-N -1 0 467.667 -0.601 20 0 JBADRM O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)c1cc(-c2ccccc2)cnc1F ZINC001199730350 1068963283 /nfs/dbraw/zinc/96/32/83/1068963283.db2.gz ORMUXQYZKOSSQK-DWJZYCCASA-N -1 0 458.420 -0.756 20 0 JBADRM O=C(N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)c1cc(-c2ccccc2)cnc1F ZINC001199730355 1068963340 /nfs/dbraw/zinc/96/33/40/1068963340.db2.gz ORMUXQYZKOSSQK-VFCJXBEMSA-N -1 0 458.420 -0.756 20 0 JBADRM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)c1cc(CCO)ccn1 ZINC001199754586 1068963529 /nfs/dbraw/zinc/96/35/29/1068963529.db2.gz GMFWJIJFZAUUTG-BFPDHSSHSA-N -1 0 478.358 -0.218 20 0 JBADRM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)c1cc(CCO)ccn1 ZINC001199754804 1068963394 /nfs/dbraw/zinc/96/33/94/1068963394.db2.gz GMFWJIJFZAUUTG-ZLJVHPLZSA-N -1 0 478.358 -0.218 20 0 JBADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cccnc1I ZINC001199764325 1068964134 /nfs/dbraw/zinc/96/41/34/1068964134.db2.gz LQZFQTRFGFWTIK-UHFFFAOYSA-N -1 0 452.190 -0.603 20 0 JBADRM CCOC(=O)[C@@H](C)NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC001199807095 1068964068 /nfs/dbraw/zinc/96/40/68/1068964068.db2.gz CMJKAYGVAOVZAH-BAYCTPFLSA-N -1 0 488.419 -0.162 20 0 JBADRM CCOC(=O)[C@H](C)NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001199807096 1068964127 /nfs/dbraw/zinc/96/41/27/1068964127.db2.gz CMJKAYGVAOVZAH-JRGKLULKSA-N -1 0 488.419 -0.162 20 0 JBADRM CCOC(=O)[C@H](C)NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001199807097 1068964015 /nfs/dbraw/zinc/96/40/15/1068964015.db2.gz CMJKAYGVAOVZAH-NEXPTJEISA-N -1 0 488.419 -0.162 20 0 JBADRM CCOC(=O)[C@H](C)NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC001199807098 1068964060 /nfs/dbraw/zinc/96/40/60/1068964060.db2.gz CMJKAYGVAOVZAH-TWBCTODHSA-N -1 0 488.419 -0.162 20 0 JBADRM CCOC(=O)[C@H](C)NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12 ZINC001199811957 1068964671 /nfs/dbraw/zinc/96/46/71/1068964671.db2.gz ONCAHTRQESCRSA-JRGKLULKSA-N -1 0 488.419 -0.162 20 0 JBADRM CCOC(=O)[C@H](C)NC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12 ZINC001199811960 1068964487 /nfs/dbraw/zinc/96/44/87/1068964487.db2.gz ONCAHTRQESCRSA-NEXPTJEISA-N -1 0 488.419 -0.162 20 0 JBADRM O=[P@@]([O-])(O)COCCn1cnc2c1ncnc2NC(=S)NCCCN1CCOCC1 ZINC001199937600 1068965199 /nfs/dbraw/zinc/96/51/99/1068965199.db2.gz GIYVVEDVDDISNH-UHFFFAOYSA-N -1 0 459.469 -0.013 20 0 JBADRM CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001199966526 1068965722 /nfs/dbraw/zinc/96/57/22/1068965722.db2.gz WWYAUTYCWVQJRL-ZANVPECISA-N -1 0 450.495 -0.141 20 0 JBADRM COC(=O)CCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC001199982826 1068965871 /nfs/dbraw/zinc/96/58/71/1068965871.db2.gz HBPGPNQMPHYGGT-FRJWGUMJSA-N -1 0 474.392 -0.550 20 0 JBADRM COC(=O)CCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001199982828 1068965780 /nfs/dbraw/zinc/96/57/80/1068965780.db2.gz HBPGPNQMPHYGGT-MYMXGEOPSA-N -1 0 474.392 -0.550 20 0 JBADRM COC(=O)CCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001199982829 1068965711 /nfs/dbraw/zinc/96/57/11/1068965711.db2.gz HBPGPNQMPHYGGT-VTEVMWQTSA-N -1 0 474.392 -0.550 20 0 JBADRM COC(=O)CCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12 ZINC001199984267 1068965831 /nfs/dbraw/zinc/96/58/31/1068965831.db2.gz KDEHQSQAYKONDR-MYMXGEOPSA-N -1 0 474.392 -0.550 20 0 JBADRM 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