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0.283 20 0 JCADHL Nc1ccc2ncnc(N(C(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)c3cccc(Br)c3)c2c1 ZINC001144907967 1070455586 /nfs/dbraw/zinc/45/55/86/1070455586.db2.gz XPYGKUUJFDJTNN-YESZJQIVSA-N -2 3 491.298 0.283 20 0 JCADHL O=C([N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)c1cc(C2CC2)on1 ZINC001146917645 1070531591 /nfs/dbraw/zinc/53/15/91/1070531591.db2.gz UTKYRAKMCNJPRP-FIHUPRISSA-N -2 3 464.331 0.718 20 0 JCADHL O=C([N-]c1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)c1cc(C2CC2)on1 ZINC001146917646 1070531657 /nfs/dbraw/zinc/53/16/57/1070531657.db2.gz UTKYRAKMCNJPRP-HWAANXBSSA-N -2 3 464.331 0.718 20 0 JCADHL O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21)c1cc2n(n1)CCNC2=O ZINC001147548372 1070542606 /nfs/dbraw/zinc/54/26/06/1070542606.db2.gz UGIBIAOCBWDQMR-UHFFFAOYSA-N -3 3 482.452 0.231 20 0 JCADHL NC(=O)c1nccnc1C(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21 ZINC001147758120 1070546869 /nfs/dbraw/zinc/54/68/69/1070546869.db2.gz PDPSBVUEDRYSKY-UHFFFAOYSA-N -3 3 468.425 0.180 20 0 JCADHL COc1cccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)c1[O-] ZINC001148197669 1070565257 /nfs/dbraw/zinc/56/52/57/1070565257.db2.gz WISYPBLONJWNND-BVSJBKOGSA-N -2 3 479.342 0.567 20 0 JCADHL COc1cccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)c1[O-] ZINC001148197670 1070564977 /nfs/dbraw/zinc/56/49/77/1070564977.db2.gz WISYPBLONJWNND-JUWZCLJNSA-N -2 3 479.342 0.567 20 0 JCADHL Cc1ccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)c([O-])c1 ZINC001148491846 1070574927 /nfs/dbraw/zinc/57/49/27/1070574927.db2.gz DTBGTWUJQPZKMV-BFPDHSSHSA-N -2 3 463.343 0.867 20 0 JCADHL Cc1ccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)c([O-])c1 ZINC001148491847 1070574727 /nfs/dbraw/zinc/57/47/27/1070574727.db2.gz DTBGTWUJQPZKMV-ZLJVHPLZSA-N -2 3 463.343 0.867 20 0 JCADHL CC(=O)c1cc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)ccc1[O-] ZINC001148655376 1070576563 /nfs/dbraw/zinc/57/65/63/1070576563.db2.gz ACSIABWIHZMYQU-CTYUOQFJSA-N -2 3 491.353 0.761 20 0 JCADHL CC(=O)c1cc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)ccc1[O-] ZINC001148655377 1070576854 /nfs/dbraw/zinc/57/68/54/1070576854.db2.gz ACSIABWIHZMYQU-NMLBAAHISA-N -2 3 491.353 0.761 20 0 JCADHL CC1CCC(N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)CC1 ZINC001168208686 1069933551 /nfs/dbraw/zinc/93/35/51/1069933551.db2.gz AETHTNFHQCMEGC-XDSBNVAZSA-N -2 3 467.573 0.351 20 0 JCADHL CC1CCC(N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c(=O)[n-]n4C)CS[C@H]23)CC1 ZINC001168208686 1069933544 /nfs/dbraw/zinc/93/35/44/1069933544.db2.gz AETHTNFHQCMEGC-XDSBNVAZSA-N -2 3 467.573 0.351 20 0 JCADHL NS(=O)(=O)c1c(NCc2cc(=O)[n-]o2)ccc(I)c1-c1nnn[n-]1 ZINC001169484310 1069992071 /nfs/dbraw/zinc/99/20/71/1069992071.db2.gz LWGFTUNNVJATKE-UHFFFAOYSA-N -2 3 463.217 0.424 20 0 JCADHL CC(C)CCC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001170073695 1070051373 /nfs/dbraw/zinc/05/13/73/1070051373.db2.gz LYCLRPCRXGAGRF-AEDCBLDQSA-N -2 3 483.616 0.988 20 0 JCADHL CC(C)CCC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001170073695 1070051359 /nfs/dbraw/zinc/05/13/59/1070051359.db2.gz LYCLRPCRXGAGRF-AEDCBLDQSA-N -2 3 483.616 0.988 20 0 JCADHL CC(C)CCC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001170073696 1070051523 /nfs/dbraw/zinc/05/15/23/1070051523.db2.gz LYCLRPCRXGAGRF-WHWRDJHUSA-N -2 3 483.616 0.988 20 0 JCADHL CC(C)CCC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001170073696 1070051500 /nfs/dbraw/zinc/05/15/00/1070051500.db2.gz LYCLRPCRXGAGRF-WHWRDJHUSA-N -2 3 483.616 0.988 20 0 JCADHL Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3C[C@@H]4[C@H](C3)C4(C)C)[C@H]2SC1 ZINC001170736958 1070251305 /nfs/dbraw/zinc/25/13/05/1070251305.db2.gz UQDBEGPJFWIBSK-FUURDSRSSA-N -2 3 479.584 0.207 20 0 JCADHL Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@H]3C[C@@H]4[C@H](C3)C4(C)C)[C@H]2SC1 ZINC001170736958 1070251296 /nfs/dbraw/zinc/25/12/96/1070251296.db2.gz UQDBEGPJFWIBSK-FUURDSRSSA-N -2 3 479.584 0.207 20 0 JCADHL Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3C[C@@H]4[C@H](C3)C4(C)C)[C@H]2SC1 ZINC001170736959 1070251609 /nfs/dbraw/zinc/25/16/09/1070251609.db2.gz UQDBEGPJFWIBSK-OIOPADSCSA-N -2 3 479.584 0.207 20 0 JCADHL Cn1[n-]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N[C@@H]3C[C@@H]4[C@H](C3)C4(C)C)[C@H]2SC1 ZINC001170736959 1070251599 /nfs/dbraw/zinc/25/15/99/1070251599.db2.gz UQDBEGPJFWIBSK-OIOPADSCSA-N -2 3 479.584 0.207 20 0 JCADHL CC[C@@H](C)OCC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172350747 1068247415 /nfs/dbraw/zinc/24/74/15/1068247415.db2.gz OMRDXVFQTHWZGP-IXGPKGCPSA-N -2 3 499.615 0.366 20 0 JCADHL CC[C@H](C)OCC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172350758 1068247661 /nfs/dbraw/zinc/24/76/61/1068247661.db2.gz OMRDXVFQTHWZGP-KNQLMXMPSA-N -2 3 499.615 0.366 20 0 JCADHL CC[C@@H](C)OCC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172350762 1068247311 /nfs/dbraw/zinc/24/73/11/1068247311.db2.gz OMRDXVFQTHWZGP-RDTWTUCRSA-N -2 3 499.615 0.366 20 0 JCADHL CC[C@H](C)OCC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172350768 1068247239 /nfs/dbraw/zinc/24/72/39/1068247239.db2.gz OMRDXVFQTHWZGP-ZSMOCIRGSA-N -2 3 499.615 0.366 20 0 JCADHL C[C@@H]1CC[C@@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C[C@H]1C ZINC001172367360 1068248494 /nfs/dbraw/zinc/24/84/94/1068248494.db2.gz KMTIBLQUNIZCNP-FSROYCHQSA-N -2 3 481.600 0.597 20 0 JCADHL C[C@@H]1CC[C@@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c(=O)[n-]n4C)CS[C@H]23)C[C@H]1C ZINC001172367360 1068248490 /nfs/dbraw/zinc/24/84/90/1068248490.db2.gz KMTIBLQUNIZCNP-FSROYCHQSA-N -2 3 481.600 0.597 20 0 JCADHL C[C@@H]1CC[C@@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C[C@@H]1C ZINC001172367362 1068248105 /nfs/dbraw/zinc/24/81/05/1068248105.db2.gz KMTIBLQUNIZCNP-LTTOWHKSSA-N -2 3 481.600 0.597 20 0 JCADHL C[C@@H]1CC[C@@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c(=O)[n-]n4C)CS[C@H]23)C[C@@H]1C ZINC001172367362 1068248090 /nfs/dbraw/zinc/24/80/90/1068248090.db2.gz KMTIBLQUNIZCNP-LTTOWHKSSA-N -2 3 481.600 0.597 20 0 JCADHL C[C@@H]1CC[C@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C[C@@H]1C ZINC001172367363 1068248339 /nfs/dbraw/zinc/24/83/39/1068248339.db2.gz KMTIBLQUNIZCNP-OOOSNYQSSA-N -2 3 481.600 0.597 20 0 JCADHL C[C@@H]1CC[C@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c(=O)[n-]n4C)CS[C@H]23)C[C@@H]1C ZINC001172367363 1068248331 /nfs/dbraw/zinc/24/83/31/1068248331.db2.gz KMTIBLQUNIZCNP-OOOSNYQSSA-N -2 3 481.600 0.597 20 0 JCADHL C[C@@H]1CC[C@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C[C@H]1C ZINC001172367364 1068248368 /nfs/dbraw/zinc/24/83/68/1068248368.db2.gz KMTIBLQUNIZCNP-RRLHRJPMSA-N -2 3 481.600 0.597 20 0 JCADHL C[C@@H]1CC[C@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c(=O)[n-]n4C)CS[C@H]23)C[C@H]1C ZINC001172367364 1068248365 /nfs/dbraw/zinc/24/83/65/1068248365.db2.gz KMTIBLQUNIZCNP-RRLHRJPMSA-N -2 3 481.600 0.597 20 0 JCADHL CC[C@H](CC(C)C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172403138 1068248295 /nfs/dbraw/zinc/24/82/95/1068248295.db2.gz YUOHWIOQLKMCIW-PSTGCABASA-N -2 3 469.589 0.597 20 0 JCADHL CC[C@H](CC(C)C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001172403138 1068248281 /nfs/dbraw/zinc/24/82/81/1068248281.db2.gz YUOHWIOQLKMCIW-PSTGCABASA-N -2 3 469.589 0.597 20 0 JCADHL CC[C@@H](CC(C)C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172403192 1068248002 /nfs/dbraw/zinc/24/80/02/1068248002.db2.gz YUOHWIOQLKMCIW-XWCIJXRUSA-N -2 3 469.589 0.597 20 0 JCADHL CC[C@@H](CC(C)C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c(=O)[n-]n3C)CS[C@H]12 ZINC001172403192 1068247987 /nfs/dbraw/zinc/24/79/87/1068247987.db2.gz YUOHWIOQLKMCIW-XWCIJXRUSA-N -2 3 469.589 0.597 20 0 JCADHL CC(C)COCC[C@@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172470575 1068248448 /nfs/dbraw/zinc/24/84/48/1068248448.db2.gz ZSTKCBNHVNNDAB-AEDCBLDQSA-N -2 3 499.615 0.224 20 0 JCADHL CC(C)COCC[C@H](C)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12 ZINC001172470594 1068249010 /nfs/dbraw/zinc/24/90/10/1068249010.db2.gz ZSTKCBNHVNNDAB-WHWRDJHUSA-N -2 3 499.615 0.224 20 0 JCADHL CC[C@@H]1CC[C@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c([O-])nn4C)CS[C@H]23)C1 ZINC001173277620 1068267389 /nfs/dbraw/zinc/26/73/89/1068267389.db2.gz VGLCIDSXDKBPLD-CMHZANLRSA-N -2 3 467.573 0.351 20 0 JCADHL CC[C@@H]1CC[C@H](N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nc(=O)c(=O)[n-]n4C)CS[C@H]23)C1 ZINC001173277620 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