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ZINC001179373162 1068567062 /nfs/dbraw/zinc/56/70/62/1068567062.db2.gz NHVBXWWYRGGPKO-RQJABVFESA-N -1 0 469.497 0.411 20 30 JCEDRM CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])[C@H]2C1 ZINC001179373163 1068567027 /nfs/dbraw/zinc/56/70/27/1068567027.db2.gz NHVBXWWYRGGPKO-XJFOESAGSA-N -1 0 469.497 0.411 20 30 JCEDRM CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])C[C@H]2C1 ZINC001179473478 1068573529 /nfs/dbraw/zinc/57/35/29/1068573529.db2.gz FBODXAYYVYPGKC-BYNSBNAKSA-N -1 0 483.524 0.944 20 30 JCEDRM CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])C[C@H]2C1 ZINC001179473479 1068573607 /nfs/dbraw/zinc/57/36/07/1068573607.db2.gz FBODXAYYVYPGKC-XQLPTFJDSA-N -1 0 483.524 0.944 20 30 JCEDRM CC(C)(C)OC(=O)N1C[C@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])[C@H]2OCC[C@H]21 ZINC001179553441 1068577090 /nfs/dbraw/zinc/57/70/90/1068577090.db2.gz DMUYTFPJNLODDL-REWJHTLYSA-N -1 0 469.497 0.553 20 30 JCEDRM CC(C)(C)OC(=O)N1C[C@H](C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])[C@H]2OCC[C@H]21 ZINC001179553442 1068577254 /nfs/dbraw/zinc/57/72/54/1068577254.db2.gz DMUYTFPJNLODDL-RFQIPJPRSA-N -1 0 469.497 0.553 20 30 JCEDRM CCC1=NC2(CCC(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC2)C(=O)N1CCOC ZINC001179717015 1068583276 /nfs/dbraw/zinc/58/32/76/1068583276.db2.gz JAQOGJLYHFLFSF-NLGTXKQRSA-N -1 0 494.551 0.755 20 30 JCEDRM CCC1=NC2(CCC(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC2)C(=O)N1CCOC ZINC001179717016 1068583139 /nfs/dbraw/zinc/58/31/39/1068583139.db2.gz JAQOGJLYHFLFSF-RCDNUKIMSA-N -1 0 494.551 0.755 20 30 JCEDRM CC(C)(C)OC(=O)N1CCC(O)(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC1 ZINC001179747207 1068585333 /nfs/dbraw/zinc/58/53/33/1068585333.db2.gz OFWUYFSPLGIDLA-GFCCVEGCSA-N -1 0 457.486 0.291 20 30 JCEDRM CC(C)(C)OC(=O)N1CCC(O)(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC1 ZINC001179747208 1068585257 /nfs/dbraw/zinc/58/52/57/1068585257.db2.gz OFWUYFSPLGIDLA-LBPRGKRZSA-N -1 0 457.486 0.291 20 30 JCEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC001180102687 1068595061 /nfs/dbraw/zinc/59/50/61/1068595061.db2.gz NMRIIEXMIRRVSO-GOSISDBHSA-N -1 0 474.476 0.685 20 30 JCEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC001180102688 1068594946 /nfs/dbraw/zinc/59/49/46/1068594946.db2.gz NMRIIEXMIRRVSO-SFHVURJKSA-N -1 0 474.476 0.685 20 30 JCEDRM N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C3)OCC2=O)cc1 ZINC001180172241 1068594920 /nfs/dbraw/zinc/59/49/20/1068594920.db2.gz PYSNETTUSVEPAC-KRWDZBQOSA-N -1 0 459.352 0.874 20 30 JCEDRM N#Cc1ccc(N2C[C@]3(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)[O-])C3)OCC2=O)cc1 ZINC001180172242 1068594942 /nfs/dbraw/zinc/59/49/42/1068594942.db2.gz PYSNETTUSVEPAC-QGZVFWFLSA-N -1 0 459.352 0.874 20 30 JCEDRM N#Cc1cn(CCC(=O)N[C@H](CO)c2ccccc2I)c(=O)[n-]c1=O ZINC001180277580 1068605013 /nfs/dbraw/zinc/60/50/13/1068605013.db2.gz XIFCMPDFCYULIJ-CYBMUJFWSA-N -1 0 454.224 0.665 20 30 JCEDRM N#Cc1cn(CCC(=O)N[C@@H](CO)c2ccccc2I)c(=O)[n-]c1=O ZINC001180277581 1068604960 /nfs/dbraw/zinc/60/49/60/1068604960.db2.gz XIFCMPDFCYULIJ-ZDUSSCGKSA-N -1 0 454.224 0.665 20 30 JCEDRM CC(C)(C)OC(=O)N1CCC(OCC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC1 ZINC001180374938 1068608117 /nfs/dbraw/zinc/60/81/17/1068608117.db2.gz XTEOJFGEJDAVRU-HNNXBMFYSA-N -1 0 471.513 0.945 20 30 JCEDRM CC(C)(C)OC(=O)N1CCC(OCC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC1 ZINC001180374939 1068608169 /nfs/dbraw/zinc/60/81/69/1068608169.db2.gz XTEOJFGEJDAVRU-OAHLLOKOSA-N -1 0 471.513 0.945 20 30 JCEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001180422116 1068618157 /nfs/dbraw/zinc/61/81/57/1068618157.db2.gz FOWASLNSEXEQSQ-HNNXBMFYSA-N -1 0 453.841 0.608 20 30 JCEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001180422117 1068618370 /nfs/dbraw/zinc/61/83/70/1068618370.db2.gz FOWASLNSEXEQSQ-OAHLLOKOSA-N -1 0 453.841 0.608 20 30 JCEDRM C[C@H]1[C@H](NC(=O)C[C@H](Cc2ccccc2C#N)NC(=O)OC(C)(C)C)C(=O)N1S(=O)(=O)[O-] ZINC001180721663 1068633959 /nfs/dbraw/zinc/63/39/59/1068633959.db2.gz WPCYOUMZCMNLHI-NUTKFTJISA-N -1 0 466.516 0.902 20 30 JCEDRM CC(C)(C)OC(=O)N1CCN(CC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CC1 ZINC001180797491 1068638328 /nfs/dbraw/zinc/63/83/28/1068638328.db2.gz NMTMPLSDXBUIML-AWEZNQCLSA-N -1 0 456.502 0.082 20 30 JCEDRM CC(C)(C)OC(=O)N1CCN(CC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CC1 ZINC001180797492 1068638099 /nfs/dbraw/zinc/63/80/99/1068638099.db2.gz NMTMPLSDXBUIML-CQSZACIVSA-N -1 0 456.502 0.082 20 30 JCEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC001180800517 1068638208 /nfs/dbraw/zinc/63/82/08/1068638208.db2.gz SQZKSTOMWXAYMJ-CYBMUJFWSA-N -1 0 459.383 0.978 20 30 JCEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC001180800520 1068638312 /nfs/dbraw/zinc/63/83/12/1068638312.db2.gz SQZKSTOMWXAYMJ-ZDUSSCGKSA-N -1 0 459.383 0.978 20 30 JCEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001180805245 1068643130 /nfs/dbraw/zinc/64/31/30/1068643130.db2.gz GBWIIMIZBJNABS-INIZCTEOSA-N -1 0 481.533 0.630 20 30 JCEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001180805246 1068643057 /nfs/dbraw/zinc/64/30/57/1068643057.db2.gz GBWIIMIZBJNABS-MRXNPFEDSA-N -1 0 481.533 0.630 20 30 JCEDRM CS(=O)(=O)c1ccc(C(=O)CCC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cc1 ZINC001180912602 1068652140 /nfs/dbraw/zinc/65/21/40/1068652140.db2.gz SPYOVSBTVXBANG-INIZCTEOSA-N -1 0 468.490 0.596 20 30 JCEDRM CS(=O)(=O)c1ccc(C(=O)CCC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cc1 ZINC001180912606 1068652154 /nfs/dbraw/zinc/65/21/54/1068652154.db2.gz SPYOVSBTVXBANG-MRXNPFEDSA-N -1 0 468.490 0.596 20 30 JCEDRM N#Cc1cn(C2CN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c(=O)[n-]c1=O ZINC001180988143 1068659617 /nfs/dbraw/zinc/65/96/17/1068659617.db2.gz BQPACYBJOYDWGG-UHFFFAOYSA-N -1 0 457.512 0.621 20 30 JCEDRM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001180989529 1068659463 /nfs/dbraw/zinc/65/94/63/1068659463.db2.gz LRCPKAVTHRXCHX-MRVPVSSYSA-N -1 0 452.290 0.846 20 30 JCEDRM C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001180989530 1068659563 /nfs/dbraw/zinc/65/95/63/1068659563.db2.gz LRCPKAVTHRXCHX-QMMMGPOBSA-N -1 0 452.290 0.846 20 30 JCEDRM COC(=O)[C@H](CCC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])NC(=O)OC(C)(C)C ZINC001181118369 1068669780 /nfs/dbraw/zinc/66/97/80/1068669780.db2.gz LXBMUCCARPEYKJ-AAEUAGOBSA-N -1 0 473.485 0.376 20 30 JCEDRM COC(=O)[C@H](CCC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])NC(=O)OC(C)(C)C ZINC001181118377 1068669938 /nfs/dbraw/zinc/66/99/38/1068669938.db2.gz LXBMUCCARPEYKJ-WCQYABFASA-N -1 0 473.485 0.376 20 30 JCEDRM CC(C)(C)OC(=O)NCCOCCOCC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001181148790 1068674152 /nfs/dbraw/zinc/67/41/52/1068674152.db2.gz JPCJVGGRGHYHGK-AWEZNQCLSA-N -1 0 475.501 0.087 20 30 JCEDRM CC(C)(C)OC(=O)NCCOCCOCC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001181148791 1068674258 /nfs/dbraw/zinc/67/42/58/1068674258.db2.gz JPCJVGGRGHYHGK-CQSZACIVSA-N -1 0 475.501 0.087 20 30 JCEDRM N#Cc1cc(CC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)ccc1F ZINC001181172837 1068674780 /nfs/dbraw/zinc/67/47/80/1068674780.db2.gz QAUSKNFXCQRJEW-BMHLXIAXSA-N -1 0 490.344 0.792 20 30 JCEDRM N#Cc1cc(CC(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)ccc1F ZINC001181172838 1068674978 /nfs/dbraw/zinc/67/49/78/1068674978.db2.gz QAUSKNFXCQRJEW-XXHPDZBISA-N -1 0 490.344 0.792 20 30 JCEDRM CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001181318739 1068682265 /nfs/dbraw/zinc/68/22/65/1068682265.db2.gz OBQGPAKPKBJUNR-CABCVRRESA-N -1 0 455.420 0.555 20 30 JCEDRM CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001181318761 1068682233 /nfs/dbraw/zinc/68/22/33/1068682233.db2.gz OBQGPAKPKBJUNR-HUUCEWRRSA-N -1 0 455.420 0.555 20 30 JCEDRM COC(=O)[C@@H]1C[C@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CCN1C(=O)OC(C)(C)C ZINC001181482756 1068699429 /nfs/dbraw/zinc/69/94/29/1068699429.db2.gz MKNORVIQUDCXOK-HZSPNIEDSA-N -1 0 499.523 0.718 20 30 JCEDRM COC(=O)[C@@H]1C[C@@H](C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CCN1C(=O)OC(C)(C)C ZINC001181482757 1068699321 /nfs/dbraw/zinc/69/93/21/1068699321.db2.gz MKNORVIQUDCXOK-IHRRRGAJSA-N -1 0 499.523 0.718 20 30 JCEDRM COC(=O)[C@@H]1C[C@@H](C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CCN1C(=O)OC(C)(C)C ZINC001181482758 1068699283 /nfs/dbraw/zinc/69/92/83/1068699283.db2.gz MKNORVIQUDCXOK-MELADBBJSA-N -1 0 499.523 0.718 20 30 JCEDRM COC(=O)[C@@H]1C[C@H](C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CCN1C(=O)OC(C)(C)C ZINC001181482759 1068699331 /nfs/dbraw/zinc/69/93/31/1068699331.db2.gz MKNORVIQUDCXOK-RDBSUJKOSA-N -1 0 499.523 0.718 20 30 JCEDRM CCOC(=O)C1(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001181579036 1068705511 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