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CN1C(=O)C(=O)N(CC(=O)NC2(C(=O)[O-])CCOCC2)C1=O ZINC001328477651 917090332 /nfs/dbraw/zinc/09/03/32/917090332.db2.gz KQUCDXGUUDVOKI-UHFFFAOYSA-N -1 0 313.266 -1.843 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC001328536507 917092115 /nfs/dbraw/zinc/09/21/15/917092115.db2.gz JBABUQGVIMVOMQ-NXEZZACHSA-N -1 0 301.343 -1.353 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC001328536508 917092298 /nfs/dbraw/zinc/09/22/98/917092298.db2.gz JBABUQGVIMVOMQ-UWVGGRQHSA-N -1 0 301.343 -1.353 20 0 DAADRM COCCNC(=O)Cn1cc(NC(=O)COCC(=O)[O-])cn1 ZINC001328603632 917098333 /nfs/dbraw/zinc/09/83/33/917098333.db2.gz AYEVWDAKHMNTCL-UHFFFAOYSA-N -1 0 314.298 -1.315 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)NCc1cccn(CC)c1=O ZINC001328960908 917125713 /nfs/dbraw/zinc/12/57/13/917125713.db2.gz GGDYHEPMKVWKGS-UHFFFAOYSA-N -1 0 324.337 -1.332 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC[C@H](C(=O)OC)[C@H]1C ZINC001328997170 917130112 /nfs/dbraw/zinc/13/01/12/917130112.db2.gz CTJOJJUPDJKMEA-BDAKNGLRSA-N -1 0 315.326 -1.420 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC001329002017 917131101 /nfs/dbraw/zinc/13/11/01/917131101.db2.gz YLMKWVLWMFFBFF-ZJUUUORDSA-N -1 0 301.343 -1.210 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC001329002323 917131357 /nfs/dbraw/zinc/13/13/57/917131357.db2.gz ZSDPJRFOHNNUNY-MRVPVSSYSA-N -1 0 300.315 -2.141 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N1CCn2nc(C)nc2C1 ZINC001329001112 917131600 /nfs/dbraw/zinc/13/16/00/917131600.db2.gz REHJNGLVCUJRLL-UHFFFAOYSA-N -1 0 310.314 -1.887 20 0 DAADRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCCCn2cncn2)CCO1 ZINC001329061361 917135712 /nfs/dbraw/zinc/13/57/12/917135712.db2.gz OOEJMLCZCPIHAE-VIFPVBQESA-N -1 0 311.298 -1.904 20 0 DAADRM C[C@@H](CN(C)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)C(=O)[O-] ZINC001329433842 917166171 /nfs/dbraw/zinc/16/61/71/917166171.db2.gz OFBTXRUUZXARGE-DJLDLDEBSA-N -1 0 320.367 -1.143 20 0 DAADRM C[C@@H]1CN(C(=O)C(=O)NCCS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001329434402 917166603 /nfs/dbraw/zinc/16/66/03/917166603.db2.gz RZPRTKMRQUDXJM-RKDXNWHRSA-N -1 0 320.367 -1.284 20 0 DAADRM NC(=O)C[C@H]1CN(C(=O)C(=O)NCCCC(=O)[O-])CCO1 ZINC001329433706 917166824 /nfs/dbraw/zinc/16/68/24/917166824.db2.gz MSKJATMOWYKIDW-QMMMGPOBSA-N -1 0 301.299 -1.930 20 0 DAADRM C[C@H]1CN(C(=O)C(=O)NCCS(C)(=O)=O)CC[C@H]1C(=O)[O-] ZINC001329434400 917167234 /nfs/dbraw/zinc/16/72/34/917167234.db2.gz RZPRTKMRQUDXJM-DTWKUNHWSA-N -1 0 320.367 -1.284 20 0 DAADRM O=C([O-])COCCNS(=O)(=O)N1CCC2(CC1)OCCO2 ZINC001329671329 917188721 /nfs/dbraw/zinc/18/87/21/917188721.db2.gz FOPNPPRFNARQAN-UHFFFAOYSA-N -1 0 324.355 -1.239 20 0 DAADRM CCO[N-]C(=O)CNC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC001329744730 917197900 /nfs/dbraw/zinc/19/79/00/917197900.db2.gz HUANVAFZTLKAPC-SNVBAGLBSA-N -1 0 314.342 -1.703 20 0 DAADRM C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001329823316 917202409 /nfs/dbraw/zinc/20/24/09/917202409.db2.gz JRAASLCUEQDEMG-JGVFFNPUSA-N -1 0 322.339 -2.152 20 0 DAADRM C[C@@H](CNC(=O)C(=O)NCc1ccnc(N(C)C)n1)C(=O)[O-] ZINC001329948498 917213922 /nfs/dbraw/zinc/21/39/22/917213922.db2.gz AYZRAHBBNWAJSC-QMMMGPOBSA-N -1 0 309.326 -1.004 20 0 DAADRM C[C@H](CNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C(=O)[O-] ZINC001329953626 917214080 /nfs/dbraw/zinc/21/40/80/917214080.db2.gz ZVXHCJFPTWBWNU-SNVBAGLBSA-N -1 0 315.370 -1.262 20 0 DAADRM C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)C1C[NH+](CCO)C1 ZINC001330061892 917226914 /nfs/dbraw/zinc/22/69/14/917226914.db2.gz VAUKXGVCQMPLTP-JTQLQIEISA-N -1 0 310.354 -1.645 20 0 DAADRM Cn1nncc1NC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001330503641 917251030 /nfs/dbraw/zinc/25/10/30/917251030.db2.gz CFZKOABJEMFOGX-JMCQJSRRSA-N -1 0 309.282 -1.687 20 0 DAADRM COCCN1CCN(C(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CC1 ZINC001331075388 917276775 /nfs/dbraw/zinc/27/67/75/917276775.db2.gz SHGFCGCSPHJZHY-XYPYZODXSA-N -1 0 313.354 -1.244 20 0 DAADRM COCCN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001331081241 917276805 /nfs/dbraw/zinc/27/68/05/917276805.db2.gz SHGFCGCSPHJZHY-PHIMTYICSA-N -1 0 313.354 -1.244 20 0 DAADRM CN1C(=O)CO[C@H](C(=O)[N-]OCC(N)=O)[C@H]1c1cccnc1 ZINC001331322433 917291180 /nfs/dbraw/zinc/29/11/80/917291180.db2.gz RJHXUPWIZFDOAI-NEPJUHHUSA-N -1 0 308.294 -1.487 20 0 DAADRM CN1C(=O)CN(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1=O ZINC001331505367 917297094 /nfs/dbraw/zinc/29/70/94/917297094.db2.gz UOIAZOHYKUIMCD-QMMMGPOBSA-N -1 0 307.314 -1.200 20 0 DAADRM O=C([N-]N1CCCC1=O)C(F)(F)C(=O)[N-]N1CCCC1=O ZINC001332059392 917352102 /nfs/dbraw/zinc/35/21/02/917352102.db2.gz BFXHJLCGZVCUBW-UHFFFAOYSA-N -1 0 304.253 -1.071 20 0 DAADRM C[C@@H](C(=O)[O-])C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001332319343 917363687 /nfs/dbraw/zinc/36/36/87/917363687.db2.gz OWVUHOIQHCRXGZ-SFYZADRCSA-N -1 0 306.340 -1.483 20 0 DAADRM CO[N-]C(=O)CNC(=O)C(=O)NC[C@H]1CSCCS1 ZINC001332711491 917405618 /nfs/dbraw/zinc/40/56/18/917405618.db2.gz FWBZBAIDEFAFFR-ZETCQYMHSA-N -1 0 307.397 -1.255 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)NCC1(CC(N)=O)CC1 ZINC001332816501 917410849 /nfs/dbraw/zinc/41/08/49/917410849.db2.gz WNPOMQWRIOFQIA-UHFFFAOYSA-N -1 0 300.315 -2.058 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N(C)[C@H](CO)COC(C)C ZINC001332844216 917413441 /nfs/dbraw/zinc/41/34/41/917413441.db2.gz UMPDDHZRMJSBBN-SNVBAGLBSA-N -1 0 319.358 -1.585 20 0 DAADRM C[C@H](CNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC001332946682 917416986 /nfs/dbraw/zinc/41/69/86/917416986.db2.gz ZDXGGTMRFNUIMI-MRVPVSSYSA-N -1 0 313.310 -1.521 20 0 DAADRM C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)CCC1=O)C(=O)[O-] ZINC001332946683 917417567 /nfs/dbraw/zinc/41/75/67/917417567.db2.gz ZDXGGTMRFNUIMI-QMMMGPOBSA-N -1 0 313.310 -1.521 20 0 DAADRM CO[N-]C(=O)CNC(=O)C(=O)NCCN(C)CC(F)(F)F ZINC001333277277 917433181 /nfs/dbraw/zinc/43/31/81/917433181.db2.gz RTHYMSWXRXDNPI-UHFFFAOYSA-N -1 0 314.264 -1.610 20 0 DAADRM CO[N-]C(=O)CNC(=O)C(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC001333294896 917434742 /nfs/dbraw/zinc/43/47/42/917434742.db2.gz CEBPHBYVSNIZOY-RKDXNWHRSA-N -1 0 301.368 -1.008 20 0 DAADRM O=C([N-]OC[C@@H]1CCOC1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001333757549 917456175 /nfs/dbraw/zinc/45/61/75/917456175.db2.gz IXVDDDWNZQCXOH-WYUUTHIRSA-N -1 0 314.338 -1.009 20 0 DAADRM CO[N-]C(=O)CNC(=O)CSCC(=O)N1CCOCC1 ZINC001333997490 917472436 /nfs/dbraw/zinc/47/24/36/917472436.db2.gz QLNPNSONJRFTRZ-UHFFFAOYSA-N -1 0 305.356 -1.628 20 0 DAADRM CCO[N-]C(=O)CNC(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC001334604617 917500519 /nfs/dbraw/zinc/50/05/19/917500519.db2.gz KJESKOHPJSNEMQ-DTORHVGOSA-N -1 0 301.368 -1.008 20 0 DAADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001334987272 917514317 /nfs/dbraw/zinc/51/43/17/917514317.db2.gz NSVYVLXIVMKMCR-QWRGUYRKSA-N -1 0 312.370 -1.087 20 0 DAADRM CN1C(=O)CN(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1=O ZINC001334973588 917514637 /nfs/dbraw/zinc/51/46/37/917514637.db2.gz URQDIDIZGIWSAD-ZETCQYMHSA-N -1 0 309.286 -2.006 20 0 DAADRM CO[N-]C(=O)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001334987267 917515204 /nfs/dbraw/zinc/51/52/04/917515204.db2.gz NSVYVLXIVMKMCR-GHMZBOCLSA-N -1 0 312.370 -1.087 20 0 DAADRM C[C@@H]1CN(C(=O)C(=O)NCCn2cncn2)CC[C@@H]1C(=O)[O-] ZINC001335217850 917531874 /nfs/dbraw/zinc/53/18/74/917531874.db2.gz SMKJWGCLIYHQER-ZJUUUORDSA-N -1 0 309.326 -1.037 20 0 DAADRM C[C@H]1CN(C(=O)C(=O)NCCn2cncn2)CC[C@@H]1C(=O)[O-] ZINC001335217848 917532865 /nfs/dbraw/zinc/53/28/65/917532865.db2.gz SMKJWGCLIYHQER-UWVGGRQHSA-N -1 0 309.326 -1.037 20 0 DAADRM C[C@@H]1CN(C(=O)C(=O)NCCn2cncn2)CC[C@H]1C(=O)[O-] ZINC001335217847 917533313 /nfs/dbraw/zinc/53/33/13/917533313.db2.gz SMKJWGCLIYHQER-NXEZZACHSA-N -1 0 309.326 -1.037 20 0 DAADRM COCC(=O)NCCC[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001336247120 917575060 /nfs/dbraw/zinc/57/50/60/917575060.db2.gz DDKQRQPJCOUTAR-QMMMGPOBSA-N -1 0 315.330 -1.263 20 0 DAADRM O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC001336354039 917579445 /nfs/dbraw/zinc/57/94/45/917579445.db2.gz JFCPOQCTJRNBJZ-HRDYMLBCSA-N 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/nfs/dbraw/zinc/74/02/13/979740213.db2.gz XECJOFGENGRPSO-ZETCQYMHSA-N -1 0 309.344 -1.845 20 0 DAADRM CC[C@H](CNS(C)(=O)=O)NC(=O)N1CC(O)(C(=O)[O-])C1 ZINC001595172060 979740338 /nfs/dbraw/zinc/74/03/38/979740338.db2.gz XECJOFGENGRPSO-SSDOTTSWSA-N -1 0 309.344 -1.845 20 0 DAADRM CC[C@@H](CNS(C)(=O)=O)NCc1cn(CC(=O)[O-])nn1 ZINC001595173059 979749117 /nfs/dbraw/zinc/74/91/17/979749117.db2.gz YMKKTKNPFFDXJA-QMMMGPOBSA-N -1 0 305.360 -1.220 20 0 DAADRM CC[C@](COC)(NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)C(=O)[O-] ZINC001595189472 979875013 /nfs/dbraw/zinc/87/50/13/979875013.db2.gz NNRLQHODULUWGM-WRWORJQWSA-N -1 0 322.339 -2.104 20 0 DAADRM C[C@@](Cn1cccn1)(NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC001592917790 979897120 /nfs/dbraw/zinc/89/71/20/979897120.db2.gz UVRNEIGTAPMFLR-ZDUSSCGKSA-N -1 0 321.293 -1.195 20 0 DAADRM CC[C@H](COC)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595198527 979927004 /nfs/dbraw/zinc/92/70/04/979927004.db2.gz IJPBMHSYFIKAGI-AEJSXWLSSA-N -1 0 302.327 -1.178 20 0 DAADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001592930911 979976194 /nfs/dbraw/zinc/97/61/94/979976194.db2.gz NZZGUJARMBWSDG-OUAUKWLOSA-N -1 0 324.337 -1.318 20 0 DAADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001592930910 979976204 /nfs/dbraw/zinc/97/62/04/979976204.db2.gz NZZGUJARMBWSDG-MXWKQRLJSA-N -1 0 324.337 -1.318 20 0 DAADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)[C@@H]1CCOC1 ZINC001592969975 980104492 /nfs/dbraw/zinc/10/44/92/980104492.db2.gz ANXKZIVEDOSZDG-ZRUFSTJUSA-N -1 0 314.338 -1.178 20 0 DAADRM C[C@H](NC(=O)CN1CCC[C@@H](C(=O)[O-])C1=O)c1nnnn1C ZINC001593025814 980284689 /nfs/dbraw/zinc/28/46/89/980284689.db2.gz LADVSORCDSAXTC-JGVFFNPUSA-N -1 0 310.314 -1.290 20 0 DAADRM C[C@@H](NC(=O)CN[C@H](C(=O)[O-])c1ccnn1C)C(=O)N(C)C ZINC001593027379 980290837 /nfs/dbraw/zinc/29/08/37/980290837.db2.gz AVYKHYMKICTOQW-KCJUWKMLSA-N -1 0 311.342 -1.272 20 0 DAADRM C[C@H](NC(=O)CN[C@@H](C(=O)[O-])c1ccnn1C)C(=O)N(C)C ZINC001593027377 980291244 /nfs/dbraw/zinc/29/12/44/980291244.db2.gz AVYKHYMKICTOQW-GZMMTYOYSA-N -1 0 311.342 -1.272 20 0 DAADRM CC[C@@H](O)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001595328537 980555498 /nfs/dbraw/zinc/55/54/98/980555498.db2.gz RYZGJNSYDXYZBS-YIZRAAEISA-N -1 0 313.310 -1.247 20 0 DAADRM CC[C@@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@H](C)O1 ZINC001595471055 981172446 /nfs/dbraw/zinc/17/24/46/981172446.db2.gz MPSKDWLYTJAPLK-DTWKUNHWSA-N -1 0 300.311 -1.330 20 0 DAADRM CC[C@@H]1COCCN1C(=O)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001595500014 981269293 /nfs/dbraw/zinc/26/92/93/981269293.db2.gz HFUGVFVLNGHZBF-MXWKQRLJSA-N -1 0 314.338 -1.082 20 0 DAADRM CC[C@@H](C(=O)[O-])C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC ZINC001594744794 981626590 /nfs/dbraw/zinc/62/65/90/981626590.db2.gz AQQDDXYIASTOEL-HTQZYQBOSA-N -1 0 307.324 -1.104 20 0 DAADRM CC[C@@H](C(=O)[O-])C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001594752803 981656956 /nfs/dbraw/zinc/65/69/56/981656956.db2.gz HCWNLUVEPZHCCM-RNCFNFMXSA-N -1 0 300.311 -1.159 20 0 DAADRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001594765123 981714627 /nfs/dbraw/zinc/71/46/27/981714627.db2.gz MXXCHHUXSQKEGR-YUMQZZPRSA-N -1 0 307.324 -1.056 20 0 DAADRM CCCC[C@@H](NC(N)=O)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001595637581 981933014 /nfs/dbraw/zinc/93/30/14/981933014.db2.gz MBGGTIBQKUNWFB-BDAKNGLRSA-N -1 0 314.342 -1.033 20 0 DAADRM CC[C@H](C)[C@H](NC(=O)CN1CC[C@](O)(C(N)=O)C1)C(=O)[O-] ZINC001594888917 982278583 /nfs/dbraw/zinc/27/85/83/982278583.db2.gz BJJKFLJYCJJGTI-GMOODISLSA-N -1 0 301.343 -1.476 20 0 DAADRM CC[C@@H](C)[C@H](NC(=O)Cn1nc(C(N)=O)ccc1=O)C(=O)[O-] ZINC001594909059 982407257 /nfs/dbraw/zinc/40/72/57/982407257.db2.gz PKOJNQZCLYFCPW-HQJQHLMTSA-N -1 0 310.310 -1.042 20 0 DAADRM CCCCN(CCO)C(=O)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC001595745068 982410934 /nfs/dbraw/zinc/41/09/34/982410934.db2.gz QYORPWZNJCGXMS-WDEREUQCSA-N -1 0 316.354 -1.099 20 0 DAADRM CCCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CC(=O)N(C)C1=O ZINC001595822883 982695348 /nfs/dbraw/zinc/69/53/48/982695348.db2.gz SBIBSLSYQIBWDB-SECBINFHSA-N -1 0 323.309 -1.028 20 0 DAADRM CCCNC(=O)CN(C)C(=O)CN1CC[C@](O)(C(=O)[O-])C1 ZINC001595921864 983035387 /nfs/dbraw/zinc/03/53/87/983035387.db2.gz FQSOEIQEWQVLPA-CYBMUJFWSA-N -1 0 301.343 -1.508 20 0 DAADRM CCN1CCN(S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1=O ZINC001573777537 983108517 /nfs/dbraw/zinc/10/85/17/983108517.db2.gz AJZZCPCXBLXDDO-UHFFFAOYSA-N -1 0 302.312 -1.039 20 0 DAADRM CN(C)S(=O)(=O)CCS(=O)(=O)N[C@H](CO)C(=O)[O-] ZINC001573864038 983128186 /nfs/dbraw/zinc/12/81/86/983128186.db2.gz RDZMEQJSHISRMP-ZCFIWIBFSA-N -1 0 304.346 -2.757 20 0 DAADRM CNS(=O)(=O)NCC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573910668 983136539 /nfs/dbraw/zinc/13/65/39/983136539.db2.gz RINPOUPEAPPYBW-HTQZYQBOSA-N -1 0 309.344 -1.821 20 0 DAADRM CNS(=O)(=O)NCC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC001573910671 983136831 /nfs/dbraw/zinc/13/68/31/983136831.db2.gz RINPOUPEAPPYBW-YUMQZZPRSA-N -1 0 309.344 -1.821 20 0 DAADRM CNS(=O)(=O)NCC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC001573910670 983136946 /nfs/dbraw/zinc/13/69/46/983136946.db2.gz RINPOUPEAPPYBW-SFYZADRCSA-N -1 0 309.344 -1.821 20 0 DAADRM CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001574059518 983161025 /nfs/dbraw/zinc/16/10/25/983161025.db2.gz NHKSEUQBEUOHEA-KXUCPTDWSA-N -1 0 320.367 -1.126 20 0 DAADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)c1C(=O)[O-] ZINC001574179828 983182722 /nfs/dbraw/zinc/18/27/22/983182722.db2.gz XCXHOBDJHHXITQ-ZCFIWIBFSA-N -1 0 302.312 -1.075 20 0 DAADRM CCCS(=O)(=O)CC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001595980275 983220864 /nfs/dbraw/zinc/22/08/64/983220864.db2.gz NNKVFADKGWELGA-MRVPVSSYSA-N -1 0 306.340 -1.435 20 0 DAADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001574415233 983240860 /nfs/dbraw/zinc/24/08/60/983240860.db2.gz MSKDWGUBGXQEPT-SFYZADRCSA-N -1 0 319.339 -1.281 20 0 DAADRM O=C([O-])c1ccc(CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)o1 ZINC001574435731 983244050 /nfs/dbraw/zinc/24/40/50/983244050.db2.gz SSTZMPHYEZWDHR-ZETCQYMHSA-N -1 0 316.291 -1.493 20 0 DAADRM CCN(C(=O)CN[C@@](C)(CO)C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001596142512 983493960 /nfs/dbraw/zinc/49/39/60/983493960.db2.gz BHHKFDOYFRAAPK-CABZTGNLSA-N -1 0 322.383 -1.553 20 0 DAADRM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@](C)(O)C(=O)[O-] ZINC001596207467 983594533 /nfs/dbraw/zinc/59/45/33/983594533.db2.gz UTPOZQAIKZFCPQ-BXKDBHETSA-N -1 0 322.383 -1.553 20 0 DAADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@](C)(O)C(=O)[O-] ZINC001596207468 983594646 /nfs/dbraw/zinc/59/46/46/983594646.db2.gz UTPOZQAIKZFCPQ-CABZTGNLSA-N -1 0 322.383 -1.553 20 0 DAADRM CCN(CC(=O)[O-])C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001596215678 983608617 /nfs/dbraw/zinc/60/86/17/983608617.db2.gz ASZYXKFXJBHKBW-IJLUTSLNSA-N -1 0 324.337 -1.157 20 0 DAADRM CCN(CCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])C(=O)CNC(N)=O ZINC001596326641 983760456 /nfs/dbraw/zinc/76/04/56/983760456.db2.gz JRDRZKXCVXBMHT-BDAKNGLRSA-N -1 0 314.342 -1.270 20 0 DAADRM CCN(CCNC(=O)CNC(=O)NC)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC001596334049 983775093 /nfs/dbraw/zinc/77/50/93/983775093.db2.gz YWJUBGXPRAVEIB-RKDXNWHRSA-N -1 0 314.342 -1.399 20 0 DAADRM CCN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001596334645 983777540 /nfs/dbraw/zinc/77/75/40/983777540.db2.gz QDOCVTBCWNAWIX-VHSXEESVSA-N -1 0 309.326 -1.037 20 0 DAADRM C=CC(=O)NCCC(=O)NC[C@]1(C(=O)[O-])C[C@@H]1S(C)(=O)=O ZINC001588656457 983783477 /nfs/dbraw/zinc/78/34/77/983783477.db2.gz OYODAVZHQGRDFK-QPUJVOFHSA-N -1 0 318.351 -1.317 20 0 DAADRM CCN(OC)C(=O)CNC(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001596380521 983902132 /nfs/dbraw/zinc/90/21/32/983902132.db2.gz LZSLQUNRSNFIDT-ZDUSSCGKSA-N -1 0 315.326 -1.164 20 0 DAADRM CCN(OC)C(=O)CNC(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001596380520 983902234 /nfs/dbraw/zinc/90/22/34/983902234.db2.gz LZSLQUNRSNFIDT-CYBMUJFWSA-N -1 0 315.326 -1.164 20 0 DAADRM CCN(OC)C(=O)CNC(=O)NCCC(=O)NCCC(=O)[O-] ZINC001596384569 983911129 /nfs/dbraw/zinc/91/11/29/983911129.db2.gz XUHSLBGVHWJUOD-UHFFFAOYSA-N -1 0 318.330 -1.324 20 0 DAADRM CCN1CCN(CC(=O)N[C@H](CC(F)F)C(=O)[O-])C(=O)C1=O ZINC001596430472 984095654 /nfs/dbraw/zinc/09/56/54/984095654.db2.gz LGPDTYWDTVSTRV-SSDOTTSWSA-N -1 0 321.280 -1.098 20 0 DAADRM CCN1CCN(CC(=O)N[C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)C(=O)C1=O ZINC001596431511 984102290 /nfs/dbraw/zinc/10/22/90/984102290.db2.gz XFMYSEAAPHBQDO-ZRUFSTJUSA-N -1 0 323.349 -1.098 20 0 DAADRM CCNC(=O)[C@@H](C)NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001596452390 984158244 /nfs/dbraw/zinc/15/82/44/984158244.db2.gz UNEIVZRZWDBLTR-CSMHCCOUSA-N -1 0 302.331 -1.212 20 0 DAADRM CCNC(=O)CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-] ZINC001596456615 984163893 /nfs/dbraw/zinc/16/38/93/984163893.db2.gz WAFCOALUQMFEGJ-MRVPVSSYSA-N -1 0 306.340 -1.387 20 0 DAADRM CCNC(=O)NC(=O)CN1CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC001596485724 984222386 /nfs/dbraw/zinc/22/23/86/984222386.db2.gz VJKNJXLRVKLSON-DTWKUNHWSA-N -1 0 312.326 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O=C(CN1CCN(C(=O)Cc2nnn[n-]2)CC1)N1CCCC1 ZINC001176841208 781623358 /nfs/dbraw/zinc/62/33/58/781623358.db2.gz UJYIUFXOLZDMOZ-UHFFFAOYSA-N -1 0 307.358 -1.491 20 0 DAADRM CN1CCN(c2cc(NC(=O)Cc3nnn[n-]3)ncn2)CC1 ZINC001176837732 781624040 /nfs/dbraw/zinc/62/40/40/781624040.db2.gz DIRMUHGRHCPERE-UHFFFAOYSA-N -1 0 303.330 -1.077 20 0 DAADRM O=C(CN1CCN(c2ncccn2)CC1)N[C@@H]1CO[N-]C1=O ZINC001176984505 781628231 /nfs/dbraw/zinc/62/82/31/781628231.db2.gz HYJFGOIVCQQMTL-SNVBAGLBSA-N -1 0 306.326 -1.855 20 0 DAADRM Cn1ccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c1CC(=O)[O-] ZINC001177371319 781634127 /nfs/dbraw/zinc/63/41/27/781634127.db2.gz PQTBSRGAUSKGAT-GRYCIOLGSA-N -1 0 308.342 -2.215 20 0 DAADRM Cn1ccc(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c1CC(=O)[O-] ZINC001177371330 781634216 /nfs/dbraw/zinc/63/42/16/781634216.db2.gz PQTBSRGAUSKGAT-WOPDTQHZSA-N -1 0 308.342 -2.215 20 0 DAADRM C[C@H]1[C@H](NC(=O)Cc2ncccn2)C(=O)N1S(=O)(=O)[O-] ZINC001177379986 781634439 /nfs/dbraw/zinc/63/44/39/781634439.db2.gz 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/nfs/dbraw/zinc/63/99/09/781639909.db2.gz KYEGSXGACKFDOC-UHFFFAOYSA-N -1 0 305.385 -1.003 20 0 DAADRM CCOC(=O)[C@@H]1COCCN1C(=O)Cn1nn[n-]c1=S ZINC001177739008 781640002 /nfs/dbraw/zinc/64/00/02/781640002.db2.gz JLYJLKDVOUAPJX-ZETCQYMHSA-N -1 0 301.328 -1.248 20 0 DAADRM NC(=O)CCNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178371628 781643782 /nfs/dbraw/zinc/64/37/82/781643782.db2.gz KYLLBUNSXYUTOY-UHFFFAOYSA-N -1 0 323.309 -1.581 20 0 DAADRM NC(=O)CNC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178361970 781646033 /nfs/dbraw/zinc/64/60/33/781646033.db2.gz HHNRRIMYNNXYQT-UHFFFAOYSA-N -1 0 309.282 -1.971 20 0 DAADRM C[C@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)C(=O)N1S(=O)(=O)[O-] ZINC001180384935 781670787 /nfs/dbraw/zinc/67/07/87/781670787.db2.gz JYYKDQZHQIIBES-FFWSUHOLSA-N -1 0 320.283 -2.944 20 0 DAADRM O=C(CN1CCS(=O)(=O)CC1)N[C@H]1SC(=O)[N-]C1=O ZINC001180595719 781674111 /nfs/dbraw/zinc/67/41/11/781674111.db2.gz UCWOLCGAHVAYKJ-QMMMGPOBSA-N -1 0 307.353 -1.858 20 0 DAADRM COCCN1C[C@H](C(=O)N[C@@H]2SC(=O)[N-]C2=O)CC1=O ZINC001180892416 781679116 /nfs/dbraw/zinc/67/91/16/781679116.db2.gz VNXLHMPRHGNMOV-LHLIQPBNSA-N -1 0 301.324 -1.093 20 0 DAADRM COCCN1C[C@@H](C(=O)N[C@@H]2SC(=O)[N-]C2=O)CC1=O ZINC001180892417 781679224 /nfs/dbraw/zinc/67/92/24/781679224.db2.gz VNXLHMPRHGNMOV-QUBYGPBYSA-N -1 0 301.324 -1.093 20 0 DAADRM CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CO[N-]C2=O)COC1 ZINC001181517744 781689917 /nfs/dbraw/zinc/68/99/17/781689917.db2.gz WVAGLZBJVYXXJE-SSDOTTSWSA-N -1 0 301.299 -1.174 20 0 DAADRM CCC1(Cn2cc(C(=O)[N-]N3CC(=O)NC3=O)nn2)COC1 ZINC001182303183 781703982 /nfs/dbraw/zinc/70/39/82/781703982.db2.gz PXRNUEDMFBNBDT-UHFFFAOYSA-N -1 0 308.298 -1.099 20 0 DAADRM COCCOCCc1nc(C(=O)[N-]N2CC(=O)NC2=O)c[nH]1 ZINC001182303546 781704313 /nfs/dbraw/zinc/70/43/13/781704313.db2.gz VCOLLYGSSRNJFU-UHFFFAOYSA-N -1 0 311.298 -1.188 20 0 DAADRM CC(C)(C)OC(=O)N[C@H](CO)CC(=O)N[C@@H]1CO[N-]C1=O ZINC001182695296 781712091 /nfs/dbraw/zinc/71/20/91/781712091.db2.gz HVNXNSYPDNYXCG-JGVFFNPUSA-N -1 0 303.315 -1.192 20 0 DAADRM CC[C@@H](CO)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001183160892 781722982 /nfs/dbraw/zinc/72/29/82/781722982.db2.gz IUTKBSNSLJZVRA-BYPYZUCNSA-N -1 0 321.315 -1.633 20 0 DAADRM CCCCC(=O)NCC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001183271717 781724018 /nfs/dbraw/zinc/72/40/18/781724018.db2.gz RCJNWXWDXIODOM-XVKPBYJWSA-N -1 0 321.355 -1.189 20 0 DAADRM CC(=O)N[C@H](C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C)[C@@H](C)O ZINC001183702089 781731035 /nfs/dbraw/zinc/73/10/35/781731035.db2.gz FIAZNFQMMCAZGL-JJJMYNALSA-N -1 0 323.327 -2.610 20 0 DAADRM NC(=O)[C@H](CO)NC(=O)COc1ccc(OCC(=O)[O-])cc1 ZINC001183910632 781738108 /nfs/dbraw/zinc/73/81/08/781738108.db2.gz UPTVSFROQPLCPW-JTQLQIEISA-N -1 0 312.278 -1.509 20 0 DAADRM CCOC(=O)[C@@H](C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001184229744 781747063 /nfs/dbraw/zinc/74/70/63/781747063.db2.gz XKWHFCAMMBKAPC-ACZMJKKPSA-N -1 0 308.312 -1.296 20 0 DAADRM CN1CCN(C)[C@H](C(=O)NC(=N)SCCS(=O)(=O)[O-])C1 ZINC001185262846 781757343 /nfs/dbraw/zinc/75/73/43/781757343.db2.gz QSYUAXSYFSZSHX-QMMMGPOBSA-N -1 0 324.428 -1.096 20 0 DAADRM CSc1ncc([O-])c(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)n1 ZINC001185197003 781758306 /nfs/dbraw/zinc/75/83/06/781758306.db2.gz KRINHXVHPFHTPI-HRDYMLBCSA-N -1 0 311.371 -1.963 20 0 DAADRM C[C@@H]1C[C@H](O)CCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656028 781761936 /nfs/dbraw/zinc/76/19/36/781761936.db2.gz BZDJTEDHPUPPMQ-HTQZYQBOSA-N -1 0 308.275 -1.093 20 0 DAADRM CN(CC(=O)NCCS(C)(=O)=O)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653876 781762339 /nfs/dbraw/zinc/76/23/39/781762339.db2.gz KOZUZGOOKCMULL-UHFFFAOYSA-N -1 0 316.276 -2.304 20 0 DAADRM CN(CC(=O)N1CC[C@@H](O)[C@H](F)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185653539 781762188 /nfs/dbraw/zinc/76/21/88/781762188.db2.gz GHHJHULBWDBILD-RNFRBKRXSA-N -1 0 312.238 -1.533 20 0 DAADRM COc1cc(NC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])ncn1 ZINC001185653886 781762318 /nfs/dbraw/zinc/76/23/18/781762318.db2.gz KVTSLRHCCDVHKV-UHFFFAOYSA-N -1 0 318.230 -1.027 20 0 DAADRM CN(CCC1OCCO1)C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656263 781762442 /nfs/dbraw/zinc/76/24/42/781762442.db2.gz DOJMHXXBWJWHJG-UHFFFAOYSA-N -1 0 324.274 -1.243 20 0 DAADRM O=C(NCc1nnn[n-]1)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185612962 781762926 /nfs/dbraw/zinc/76/29/26/781762926.db2.gz LNVVRJNLLBRMON-UHFFFAOYSA-N -1 0 316.325 -1.149 20 0 DAADRM Cc1ncc(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])cn1 ZINC001185662513 781763415 /nfs/dbraw/zinc/76/34/15/781763415.db2.gz CJBMMDWEWHISQJ-UHFFFAOYSA-N -1 0 316.258 -1.050 20 0 DAADRM COC(C)(CNC(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])OC ZINC001185664286 781763562 /nfs/dbraw/zinc/76/35/62/781763562.db2.gz TWPCUPWRVRTWEJ-UHFFFAOYSA-N -1 0 312.263 -1.340 20 0 DAADRM CN(CC(=O)NCCN1CCCCO1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185662780 781763687 /nfs/dbraw/zinc/76/36/87/781763687.db2.gz FWCVOMHNERMCQB-UHFFFAOYSA-N -1 0 323.290 -1.321 20 0 DAADRM O=S(=O)([O-])CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001185620504 781763728 /nfs/dbraw/zinc/76/37/28/781763728.db2.gz JEHYUWLNGCZKRZ-UHFFFAOYSA-N -1 0 319.324 -1.010 20 0 DAADRM CN(CC(=O)N1Cc2cnn(C)c2C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656634 781764205 /nfs/dbraw/zinc/76/42/05/781764205.db2.gz GXTJFFVTEALVFZ-UHFFFAOYSA-N -1 0 316.258 -1.189 20 0 DAADRM C[C@H]1C(=O)NCCN1C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657662 781764231 /nfs/dbraw/zinc/76/42/31/781764231.db2.gz ZTVRSYFSIVOEOF-LURJTMIESA-N -1 0 307.247 -2.118 20 0 DAADRM CN(CC(=O)N[C@H]1CCC(=O)N(C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664791 781765731 /nfs/dbraw/zinc/76/57/31/781765731.db2.gz ZJPOCOLLDRRTOP-ZETCQYMHSA-N -1 0 321.274 -1.728 20 0 DAADRM CN(CC(=O)N[C@@H]1CCC(=O)N(C)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664790 781766018 /nfs/dbraw/zinc/76/60/18/781766018.db2.gz ZJPOCOLLDRRTOP-SSDOTTSWSA-N -1 0 321.274 -1.728 20 0 DAADRM N[C@@H]1NCN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@@H]2NCN[C@@H]21 ZINC001186802236 781790416 /nfs/dbraw/zinc/79/04/16/781790416.db2.gz UDLRYVAZZIUKFX-IEBDPFPHSA-N -1 0 317.271 -1.058 20 0 DAADRM C[C@H]1[C@H](NS(=O)(=O)c2ccco2)C(=O)N1S(=O)(=O)[O-] ZINC001186867752 781791379 /nfs/dbraw/zinc/79/13/79/781791379.db2.gz DYOFASKMWBQPDK-FSPLSTOPSA-N -1 0 310.309 -1.040 20 0 DAADRM O=C(CNC(=O)[C@@H]1CCC(=O)N1)N[C@H]1SC(=O)[N-]C1=O ZINC001187524884 781800714 /nfs/dbraw/zinc/80/07/14/781800714.db2.gz ZYROMJXRWQNMIB-IGJIYHIXSA-N -1 0 300.296 -2.194 20 0 DAADRM COC(=O)CCS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)OC ZINC001188403706 781819939 /nfs/dbraw/zinc/81/99/39/781819939.db2.gz XTKKRYMZJCMHSR-ZETCQYMHSA-N -1 0 311.312 -1.125 20 0 DAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1ccc[nH]1 ZINC001188566263 781822341 /nfs/dbraw/zinc/82/23/41/781822341.db2.gz XOEGIZVEASSSAR-UHFFFAOYSA-N -1 0 314.283 -1.275 20 0 DAADRM O=C(NCS(=O)(=O)[O-])c1cnc(N2CCOCC2)nc1 ZINC001189395577 781840497 /nfs/dbraw/zinc/84/04/97/781840497.db2.gz RTXYOVLQEFICJF-UHFFFAOYSA-N -1 0 302.312 -1.112 20 0 DAADRM Cn1c(C(=O)n2[n-]c3ccnc(=O)c-3c2N)cc(=O)n(C)c1=O ZINC001189441607 781841247 /nfs/dbraw/zinc/84/12/47/781841247.db2.gz CFJFOFKKTKVDGX-UHFFFAOYSA-N -1 0 316.277 -1.656 20 0 DAADRM COC(=O)[C@H](C)NC(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001190562916 781870420 /nfs/dbraw/zinc/87/04/20/781870420.db2.gz BTVJYKMURKLCMY-ZLUOBGJFSA-N -1 0 309.300 -1.751 20 0 DAADRM COC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190715533 781876988 /nfs/dbraw/zinc/87/69/88/781876988.db2.gz XXKHQFJSKJJNIB-SECBINFHSA-N -1 0 316.339 -1.196 20 0 DAADRM O=C(NCCNS(=O)(=O)c1ncc[n-]1)N1CCOCC1 ZINC001190746498 781878750 /nfs/dbraw/zinc/87/87/50/781878750.db2.gz XMXPNSSEMQAQQC-UHFFFAOYSA-N -1 0 303.344 -1.270 20 0 DAADRM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ncc[n-]1)C(N)=O ZINC001190762103 781879299 /nfs/dbraw/zinc/87/92/99/781879299.db2.gz CMQANDARLZMHKE-YUMQZZPRSA-N -1 0 317.371 -1.297 20 0 DAADRM CN(C)C(=O)c1nc(CNS(=O)(=O)c2ncc[n-]2)no1 ZINC001190739139 781879415 /nfs/dbraw/zinc/87/94/15/781879415.db2.gz FUZULZSMWIIZLD-UHFFFAOYSA-N -1 0 300.300 -1.027 20 0 DAADRM O=S(=O)(NCCOCCOCCOCCO)c1ncc[n-]1 ZINC001190744895 781879750 /nfs/dbraw/zinc/87/97/50/781879750.db2.gz HVFVDBLUQHBWBL-UHFFFAOYSA-N -1 0 323.371 -1.270 20 0 DAADRM CN(C)C(=O)CN(C)[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001191159865 781898849 /nfs/dbraw/zinc/89/88/49/781898849.db2.gz BOVRVZMLZRUTIT-QMMMGPOBSA-N -1 0 324.341 -1.483 20 0 DAADRM CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191185968 781903368 /nfs/dbraw/zinc/90/33/68/781903368.db2.gz RTKCQGQUQXZLTK-RKDXNWHRSA-N -1 0 312.330 -2.350 20 0 DAADRM CS[C@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191270777 781905176 /nfs/dbraw/zinc/90/51/76/781905176.db2.gz PSWOUJWVCABVHC-BWZBUEFSSA-N -1 0 301.372 -1.077 20 0 DAADRM COC(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001191383929 781908005 /nfs/dbraw/zinc/90/80/05/781908005.db2.gz INMQKFVGSBXONC-RNFRBKRXSA-N -1 0 314.302 -2.472 20 0 DAADRM CCN(OC)C(=O)C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C 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C[C@](Cn1cccn1)(NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-] ZINC001592917789 979897389 /nfs/dbraw/zinc/89/73/89/979897389.db2.gz UVRNEIGTAPMFLR-CYBMUJFWSA-N -1 0 321.293 -1.195 20 0 DAADRM C[C@H](Cn1ccnc1)NC(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001592930913 979976512 /nfs/dbraw/zinc/97/65/12/979976512.db2.gz NZZGUJARMBWSDG-VWYCJHECSA-N -1 0 324.337 -1.318 20 0 DAADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001592931655 979984629 /nfs/dbraw/zinc/98/46/29/979984629.db2.gz YQQQZNSAIMELDQ-UWVGGRQHSA-N -1 0 310.310 -1.300 20 0 DAADRM C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC001592931656 979984756 /nfs/dbraw/zinc/98/47/56/979984756.db2.gz YQQQZNSAIMELDQ-VHSXEESVSA-N -1 0 310.310 -1.300 20 0 DAADRM C[C@H](NC(=O)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)[C@H]1CCOC1 ZINC001592969973 980104621 /nfs/dbraw/zinc/10/46/21/980104621.db2.gz ANXKZIVEDOSZDG-UKKRHICBSA-N -1 0 314.338 -1.178 20 0 DAADRM C[C@@H](NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ncnn1C ZINC001592970306 980110349 /nfs/dbraw/zinc/11/03/49/980110349.db2.gz FGIQDDVUDVFKIU-SFYZADRCSA-N -1 0 311.298 -1.696 20 0 DAADRM C[C@@H](NC(=O)CN1CCC[C@H](C(=O)[O-])C1=O)c1nnnn1C ZINC001593025815 980284781 /nfs/dbraw/zinc/28/47/81/980284781.db2.gz LADVSORCDSAXTC-SFYZADRCSA-N -1 0 310.314 -1.290 20 0 DAADRM C[C@@H](NC(=O)CN1C[C@@H](C)O[C@H](C(=O)[O-])C1)C(=O)N(C)C ZINC001593027636 980293505 /nfs/dbraw/zinc/29/35/05/980293505.db2.gz GJMAJTKCQBSUJG-BBBLOLIVSA-N -1 0 301.343 -1.247 20 0 DAADRM CC[C@@H]1CN(C(=O)C(=O)N2CC(O)(C(=O)[O-])C2)C[C@@H](C)O1 ZINC001595471057 981172439 /nfs/dbraw/zinc/17/24/39/981172439.db2.gz MPSKDWLYTJAPLK-RKDXNWHRSA-N -1 0 300.311 -1.330 20 0 DAADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)CCO1 ZINC001595471788 981176564 /nfs/dbraw/zinc/17/65/64/981176564.db2.gz RTHWFLCPZHAIIT-HBNTYKKESA-N -1 0 314.338 -1.082 20 0 DAADRM CC[C@@H]1CN(C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)CCO1 ZINC001595471785 981176776 /nfs/dbraw/zinc/17/67/76/981176776.db2.gz RTHWFLCPZHAIIT-GARJFASQSA-N -1 0 314.338 -1.082 20 0 DAADRM CC[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001595500011 981269039 /nfs/dbraw/zinc/26/90/39/981269039.db2.gz HFUGVFVLNGHZBF-AXFHLTTASA-N -1 0 314.338 -1.082 20 0 DAADRM CCC[C@H](C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-])S(N)(=O)=O ZINC001595533411 981375100 /nfs/dbraw/zinc/37/51/00/981375100.db2.gz VNVMOMXYZMMKQD-JGVFFNPUSA-N -1 0 321.355 -1.803 20 0 DAADRM CCC[C@@H](C(=O)NC1(C(=O)[O-])CC(CO)C1)S(N)(=O)=O ZINC001595536164 981380588 /nfs/dbraw/zinc/38/05/88/981380588.db2.gz QKYLTGGRCZVHTK-KAIZJQOQSA-N -1 0 308.356 -1.215 20 0 DAADRM CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC001594747064 981636518 /nfs/dbraw/zinc/63/65/18/981636518.db2.gz FVEDFLUWGIAHTL-RKDXNWHRSA-N -1 0 320.367 -1.141 20 0 DAADRM CC[C@@H](C(=O)OC)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594776327 981766649 /nfs/dbraw/zinc/76/66/49/981766649.db2.gz WSRBPMAAYJGSDS-HTQZYQBOSA-N -1 0 307.324 -1.104 20 0 DAADRM CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)C(=O)[O-] ZINC001595635682 981907439 /nfs/dbraw/zinc/90/74/39/981907439.db2.gz FZEWANNTLNQSBW-RKDXNWHRSA-N -1 0 312.330 -1.063 20 0 DAADRM CCCC[C@@H](NC(N)=O)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001595637584 981933081 /nfs/dbraw/zinc/93/30/81/981933081.db2.gz MBGGTIBQKUNWFB-RKDXNWHRSA-N -1 0 314.342 -1.033 20 0 DAADRM CCCC[C@H](NC(N)=O)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001595637582 981933137 /nfs/dbraw/zinc/93/31/37/981933137.db2.gz MBGGTIBQKUNWFB-DTWKUNHWSA-N -1 0 314.342 -1.033 20 0 DAADRM CC[C@H](C)[C@H](NC(=O)CN1CCO[C@H](C(N)=O)C1)C(=O)[O-] ZINC001594892848 982299308 /nfs/dbraw/zinc/29/93/08/982299308.db2.gz DONXJRGYUZVOCG-QXEWZRGKSA-N -1 0 301.343 -1.212 20 0 DAADRM Cn1cc(/C=C/C(=O)NCCOCC(=O)[O-])c(=O)n(C)c1=O ZINC001118915408 982967921 /nfs/dbraw/zinc/96/79/21/982967921.db2.gz VAUXCSXBWFIMPN-ONEGZZNKSA-N -1 0 311.294 -1.685 20 0 DAADRM Cn1cc(/C=C\C(=O)NCCOCC(=O)[O-])c(=O)n(C)c1=O ZINC001118915407 982967934 /nfs/dbraw/zinc/96/79/34/982967934.db2.gz VAUXCSXBWFIMPN-ARJAWSKDSA-N -1 0 311.294 -1.685 20 0 DAADRM C[C@H](NC(=O)[C@H](C)NC(=O)NC[C@@H]1CCCNC1=O)C(=O)[O-] ZINC001573553467 983060747 /nfs/dbraw/zinc/06/07/47/983060747.db2.gz LSDFIXMIAHELRE-CIUDSAMLSA-N -1 0 314.342 -1.210 20 0 DAADRM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])C1 ZINC001573648146 983075203 /nfs/dbraw/zinc/07/52/03/983075203.db2.gz YQCOKKXNLQQILW-DTWKUNHWSA-N -1 0 302.327 -1.178 20 0 DAADRM C[C@H]1CN(CCO)CCN1S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573648503 983075393 /nfs/dbraw/zinc/07/53/93/983075393.db2.gz GEMPOMPOIAVUHZ-QMMMGPOBSA-N -1 0 318.355 -1.205 20 0 DAADRM COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(C(=O)[O-])no1 ZINC001573913954 983137609 /nfs/dbraw/zinc/13/76/09/983137609.db2.gz CKFGZDXCALMIDT-ZETCQYMHSA-N -1 0 311.250 -1.171 20 0 DAADRM COC(=O)c1c[nH]nc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC001573942125 983143960 /nfs/dbraw/zinc/14/39/60/983143960.db2.gz PXXVDGYJYKAOIN-ZETCQYMHSA-N -1 0 319.295 -1.330 20 0 DAADRM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CO)C(=O)[O-])c1 ZINC001573946939 983144625 /nfs/dbraw/zinc/14/46/25/983144625.db2.gz PPWSALWSXKVHHW-VIFPVBQESA-N -1 0 319.339 -1.123 20 0 DAADRM COC[C@H](NS(=O)(=O)c1cc(C(=O)OC)[nH]n1)C(=O)[O-] ZINC001573991362 983150490 /nfs/dbraw/zinc/15/04/90/983150490.db2.gz WSCLCSYVHHJCBJ-LURJTMIESA-N -1 0 307.284 -1.426 20 0 DAADRM CS(=O)(=O)CC1(NC(=O)c2cc(C(=O)[O-])no2)COC1 ZINC001574057792 983160770 /nfs/dbraw/zinc/16/07/70/983160770.db2.gz ZFFANBHZVVOHFC-UHFFFAOYSA-N -1 0 304.280 -1.084 20 0 DAADRM CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NCC(=O)[O-])C1 ZINC001574059379 983161126 /nfs/dbraw/zinc/16/11/26/983161126.db2.gz JQLCHELNVLGUED-ZETCQYMHSA-N -1 0 300.358 -1.728 20 0 DAADRM C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001574107945 983167640 /nfs/dbraw/zinc/16/76/40/983167640.db2.gz OGIUMLZTLATIFF-QMMMGPOBSA-N -1 0 310.314 -1.499 20 0 DAADRM Cc1[nH]nc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c1C(=O)[O-] ZINC001574179827 983182564 /nfs/dbraw/zinc/18/25/64/983182564.db2.gz XCXHOBDJHHXITQ-LURJTMIESA-N -1 0 302.312 -1.075 20 0 DAADRM Cn1ncc2c1nc(CCC(=O)N[C@H](CO)C(=O)[O-])[nH]c2=O ZINC001574228916 983199491 /nfs/dbraw/zinc/19/94/91/983199491.db2.gz QSDPTXHPERVAPV-SSDOTTSWSA-N -1 0 309.282 -1.437 20 0 DAADRM NC(=O)C1(O)CCN(S(=O)(=O)C2(C(=O)[O-])CCC2)CC1 ZINC001574247994 983202344 /nfs/dbraw/zinc/20/23/44/983202344.db2.gz HPJOYSDENRKEFD-UHFFFAOYSA-N -1 0 306.340 -1.364 20 0 DAADRM NC(=O)C1=NO[C@H](CNS(=O)(=O)C2(C(=O)[O-])CCC2)C1 ZINC001574250218 983203450 /nfs/dbraw/zinc/20/34/50/983203450.db2.gz YXVAXMSRLDKGIN-LURJTMIESA-N -1 0 305.312 -1.457 20 0 DAADRM O=C([O-])[C@H](CO)NC(=O)COCC(=O)NCc1cccnc1 ZINC001574300739 983211040 /nfs/dbraw/zinc/21/10/40/983211040.db2.gz XBELVOPYPSKZDG-JTQLQIEISA-N -1 0 311.294 -1.724 20 0 DAADRM CCCS(=O)(=O)CC(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC001595980032 983218196 /nfs/dbraw/zinc/21/81/96/983218196.db2.gz FMZMJKGEVCUDRQ-QMMMGPOBSA-N -1 0 306.340 -1.387 20 0 DAADRM CCCS(=O)(=O)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001595980339 983220560 /nfs/dbraw/zinc/22/05/60/983220560.db2.gz QCIDVOQKESDKLF-YUMQZZPRSA-N -1 0 308.356 -1.095 20 0 DAADRM O=C([O-])c1c[nH]nc1S(=O)(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001574415244 983240713 /nfs/dbraw/zinc/24/07/13/983240713.db2.gz MSKDWGUBGXQEPT-YUMQZZPRSA-N -1 0 319.339 -1.281 20 0 DAADRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001574434823 983243799 /nfs/dbraw/zinc/24/37/99/983243799.db2.gz HROHXAPONILNGS-CSMHCCOUSA-N -1 0 304.324 -1.731 20 0 DAADRM CNS(=O)(=O)N1CCC(C(=O)NC[C@H](O)C(=O)[O-])CC1 ZINC001574565441 983258165 /nfs/dbraw/zinc/25/81/65/983258165.db2.gz RZLPPRCQYBAAMH-QMMMGPOBSA-N -1 0 309.344 -2.276 20 0 DAADRM CCN([C@H]1CCNC1=O)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC001596196647 983579330 /nfs/dbraw/zinc/57/93/30/983579330.db2.gz JUGLISBPYQRUHH-VIFPVBQESA-N -1 0 316.339 -1.133 20 0 DAADRM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@](C)(O)C(=O)[O-] ZINC001596207469 983594517 /nfs/dbraw/zinc/59/45/17/983594517.db2.gz UTPOZQAIKZFCPQ-JOYOIKCWSA-N -1 0 322.383 -1.553 20 0 DAADRM CCN(CCCNC(=O)Cn1ncnn1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596326321 983759314 /nfs/dbraw/zinc/75/93/14/983759314.db2.gz CXJCDHFZDDXPFG-UWVGGRQHSA-N -1 0 324.341 -1.251 20 0 DAADRM CCN(CCCO)C(=O)C(=O)N1CC[C@](OC)(C(=O)[O-])C1 ZINC001596327435 983763608 /nfs/dbraw/zinc/76/36/08/983763608.db2.gz DMJXMJYLBZCUBK-CYBMUJFWSA-N -1 0 302.327 -1.081 20 0 DAADRM CCN(CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Cc1nc(=O)n(C)[nH]1 ZINC001596332308 983770084 /nfs/dbraw/zinc/77/00/84/983770084.db2.gz HQKKVWFONYSPGS-IUCAKERBSA-N -1 0 311.342 -1.233 20 0 DAADRM CCN(CCNC(=O)CNC(=O)NC)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001596334047 983775130 /nfs/dbraw/zinc/77/51/30/983775130.db2.gz YWJUBGXPRAVEIB-IUCAKERBSA-N -1 0 314.342 -1.399 20 0 DAADRM CCN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001596334269 983775535 /nfs/dbraw/zinc/77/55/35/983775535.db2.gz BIXGSOLVDYJIFH-BDAKNGLRSA-N -1 0 310.314 -1.642 20 0 DAADRM CCN(OC)C(=O)CNC(=O)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001596380535 983902193 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ZINC001121859567 779550445 /nfs/dbraw/zinc/55/04/45/779550445.db2.gz AKUBMPMMVDRRIQ-SSDOTTSWSA-N -1 0 309.286 -1.932 20 0 DAADRM Cc1cc(N[C@@H](CO)CNC(=O)Cn2c(=O)[n-][nH]c2=O)ncn1 ZINC001121859612 779550892 /nfs/dbraw/zinc/55/08/92/779550892.db2.gz AURBTCWUYFVVPY-MRVPVSSYSA-N -1 0 323.313 -1.623 20 0 DAADRM Cc1ccc(N[C@@H](CO)CNC(=O)Cn2c(=O)[n-][nH]c2=O)nn1 ZINC001121860545 779550937 /nfs/dbraw/zinc/55/09/37/779550937.db2.gz JPEHNLJDQFVAKX-MRVPVSSYSA-N -1 0 323.313 -1.623 20 0 DAADRM CN(C[C@@H](O)CNc1ncccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001124434898 779596513 /nfs/dbraw/zinc/59/65/13/779596513.db2.gz GQQJJWFXDVYKPQ-QMMMGPOBSA-N -1 0 323.313 -1.589 20 0 DAADRM CN(C[C@H](O)CNc1ncccn1)C(=O)Cn1c(=O)[n-][nH]c1=O ZINC001124434896 779597140 /nfs/dbraw/zinc/59/71/40/779597140.db2.gz GQQJJWFXDVYKPQ-MRVPVSSYSA-N -1 0 323.313 -1.589 20 0 DAADRM O=C(Cn1c(=O)[n-][nH]c1=O)NCCNCc1cc2n(n1)CCC2 ZINC001149160392 779613488 /nfs/dbraw/zinc/61/34/88/779613488.db2.gz ANONCSPKJIYHAJ-UHFFFAOYSA-N -1 0 321.341 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/nfs/dbraw/zinc/62/42/84/779624284.db2.gz BJSGAGGOFLVRFC-MRVPVSSYSA-N -1 0 323.309 -1.124 20 0 DAADRM O=C(CCCn1c(=O)[n-][nH]c1=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC001142761491 779624324 /nfs/dbraw/zinc/62/43/24/779624324.db2.gz BJSGAGGOFLVRFC-QMMMGPOBSA-N -1 0 323.309 -1.124 20 0 DAADRM CC(=O)NCC(=O)n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001142800946 779624495 /nfs/dbraw/zinc/62/44/95/779624495.db2.gz WIXBHAVJWFVHFB-UHFFFAOYSA-N -1 0 320.287 -2.515 20 0 DAADRM CC(C)(O)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001142909628 779624563 /nfs/dbraw/zinc/62/45/63/779624563.db2.gz FQOCLWYEEKZDQJ-VIFPVBQESA-N -1 0 312.326 -1.201 20 0 DAADRM Cn1[nH]c(CNCCNC(=O)COCc2cccnc2)nc1=O ZINC001149181688 779628547 /nfs/dbraw/zinc/62/85/47/779628547.db2.gz NUYKYJAPFNDPKW-UHFFFAOYSA-N -1 0 320.353 -1.074 20 0 DAADRM CCC(=O)NCC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001206632620 779646281 /nfs/dbraw/zinc/64/62/81/779646281.db2.gz PPAKWEKYDVXVNX-RKDXNWHRSA-N -1 0 310.358 -1.027 20 0 DAADRM 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ZINC001156697505 779743625 /nfs/dbraw/zinc/74/36/25/779743625.db2.gz TWKJEWLDZJDDSH-SSDOTTSWSA-N -1 0 316.295 -1.643 20 0 DAADRM C[C@H]1[C@H](Nc2cccc(C(N)=O)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157071072 779747735 /nfs/dbraw/zinc/74/77/35/779747735.db2.gz NEHWGUQAKCFLOV-XNCJUZBTSA-N -1 0 300.296 -1.006 20 0 DAADRM C[C@H]1[C@H](Nc2ccc(C(N)=O)cn2)C(=O)N1S(=O)(=O)[O-] ZINC001157067860 779748123 /nfs/dbraw/zinc/74/81/23/779748123.db2.gz WIZAZAUXNZYKEW-XNCJUZBTSA-N -1 0 300.296 -1.006 20 0 DAADRM C[C@H]1[C@H](Nc2nccc(C(N)=O)n2)C(=O)N1S(=O)(=O)[O-] ZINC001157067609 779748257 /nfs/dbraw/zinc/74/82/57/779748257.db2.gz JNOWFQNJEFWBCK-NJGYIYPDSA-N -1 0 301.284 -1.611 20 0 DAADRM C[C@H]1[C@H](Nc2ccc(C(N)=O)nn2)C(=O)N1S(=O)(=O)[O-] ZINC001157067638 779748453 /nfs/dbraw/zinc/74/84/53/779748453.db2.gz KYKRXCLKPOTHPU-FFWSUHOLSA-N -1 0 301.284 -1.611 20 0 DAADRM CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[N-]OC)cn1 ZINC001157836517 779758536 /nfs/dbraw/zinc/75/85/36/779758536.db2.gz PZMYTOUZMAONRJ-UHFFFAOYSA-N -1 0 302.312 -1.603 20 0 DAADRM Cc1noc(CNCCCNC(=O)c2n[nH]c(=O)[n-]c2=O)n1 ZINC001161872535 779847126 /nfs/dbraw/zinc/84/71/26/779847126.db2.gz HDNXPMJWGPUISO-UHFFFAOYSA-N -1 0 309.286 -1.116 20 0 DAADRM Cn1nnc(CNCCCNC(=O)c2cnc([O-])n(C)c2=O)n1 ZINC001163781414 779870936 /nfs/dbraw/zinc/87/09/36/779870936.db2.gz IBOBLDFJHLEGGL-UHFFFAOYSA-N -1 0 322.329 -2.081 20 0 DAADRM O=C(NCCC1(C[NH2+]Cc2n[nH]c(=O)[n-]2)CC1)[C@H]1CNC(=O)N1 ZINC001166903829 779894300 /nfs/dbraw/zinc/89/43/00/779894300.db2.gz XZPLKMORRZWQBS-MRVPVSSYSA-N -1 0 323.357 -1.432 20 0 DAADRM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001205865066 779904790 /nfs/dbraw/zinc/90/47/90/779904790.db2.gz KGAGRZNBXVUANX-KHQFGBGNSA-N -1 0 310.358 -1.029 20 0 DAADRM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(N)nc1 ZINC001211017481 779966538 /nfs/dbraw/zinc/96/65/38/779966538.db2.gz JEEDOHOVZVKDEQ-UHFFFAOYSA-N -1 0 313.299 -1.325 20 0 DAADRM CO[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001213366841 779975381 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323.357 -1.397 20 0 DAADRM NC(=O)C(=O)N1CCC(OC2CN(Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001093567308 781515211 /nfs/dbraw/zinc/51/52/11/781515211.db2.gz JGVRTQVTHHVNPA-UHFFFAOYSA-N -1 0 324.341 -1.813 20 0 DAADRM CC(=O)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094594925 781546885 /nfs/dbraw/zinc/54/68/85/781546885.db2.gz SRWLDWWRKPEUTA-DTWKUNHWSA-N -1 0 315.355 -1.660 20 0 DAADRM CCC(=O)N[C@@H]1CC(=O)N(C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001094686467 781555875 /nfs/dbraw/zinc/55/58/75/781555875.db2.gz TZPHERHTPBXMOI-MRVPVSSYSA-N -1 0 308.342 -1.178 20 0 DAADRM CCN1CC(N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2=O)C1 ZINC001094753326 781568160 /nfs/dbraw/zinc/56/81/60/781568160.db2.gz HVGFRJGKJHZMRW-ZETCQYMHSA-N -1 0 322.325 -1.682 20 0 DAADRM CCN1CC(N2C[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)CC2=O)C1 ZINC001094753325 781568514 /nfs/dbraw/zinc/56/85/14/781568514.db2.gz HVGFRJGKJHZMRW-SSDOTTSWSA-N -1 0 322.325 -1.682 20 0 DAADRM NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CN(Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001094778657 781573464 /nfs/dbraw/zinc/57/34/64/781573464.db2.gz HLMFQHQCXJMKIA-ZCFIWIBFSA-N -1 0 323.313 -3.103 20 0 DAADRM CC[C@H](O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-])C(N)=O ZINC001206189908 781592928 /nfs/dbraw/zinc/59/29/28/781592928.db2.gz NKJWUMZRZJROIO-UWVGGRQHSA-N -1 0 310.372 -1.145 20 0 DAADRM O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[n-]1 ZINC001095157945 781593989 /nfs/dbraw/zinc/59/39/89/781593989.db2.gz DWEVNVSAFHPCNR-VGMNWLOBSA-N -1 0 319.329 -1.582 20 0 DAADRM Cc1nocc1-n1c(=N)nc(OS(=O)(=O)[O-])c(N)c1N ZINC001212718388 781594656 /nfs/dbraw/zinc/59/46/56/781594656.db2.gz DXBHMBNTCOYUOW-UHFFFAOYSA-N -1 0 302.272 -1.006 20 0 DAADRM Cn1nnc(CNCCCNC(=O)Cn2c(=O)[n-][nH]c2=O)n1 ZINC001174713071 781598040 /nfs/dbraw/zinc/59/80/40/781598040.db2.gz IXNJNNLOWNPCGK-UHFFFAOYSA-N -1 0 311.306 -2.491 20 0 DAADRM CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001176380386 781617760 /nfs/dbraw/zinc/61/77/60/781617760.db2.gz QQMZAHFXMNCBHI-GMSGAONNSA-N -1 0 311.323 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ZINC001176905203 781626463 /nfs/dbraw/zinc/62/64/63/781626463.db2.gz HRTVEEDZCLWNRR-CDUCUWFYSA-N -1 0 317.327 -1.587 20 0 DAADRM Cn1ccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c1CC(=O)[O-] ZINC001177371329 781634261 /nfs/dbraw/zinc/63/42/61/781634261.db2.gz PQTBSRGAUSKGAT-SRVKXCTJSA-N -1 0 308.342 -2.215 20 0 DAADRM Cn1ccc(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c1CC(=O)[O-] ZINC001177371328 781634705 /nfs/dbraw/zinc/63/47/05/781634705.db2.gz PQTBSRGAUSKGAT-SDDRHHMPSA-N -1 0 308.342 -2.215 20 0 DAADRM CCc1c(NC(=O)Cn2nn[n-]c2=S)c(C(N)=O)nn1C ZINC001177736578 781639207 /nfs/dbraw/zinc/63/92/07/781639207.db2.gz VOJIKXVYWZKNGG-UHFFFAOYSA-N -1 0 310.343 -1.005 20 0 DAADRM COC(=O)[C@H]1CN(C(=O)Cn2nn[n-]c2=S)CCN1C ZINC001177738186 781639617 /nfs/dbraw/zinc/63/96/17/781639617.db2.gz CMJSUBXWHYVQHV-SSDOTTSWSA-N -1 0 300.344 -1.723 20 0 DAADRM O=C(Cn1nn[n-]c1=S)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001177739380 781639889 /nfs/dbraw/zinc/63/98/89/781639889.db2.gz QYHYKIXRLVOXNO-UHFFFAOYSA-N -1 0 309.311 -1.252 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