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-0.242 20 30 HBEDRM CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001180779500 1071358170 /nfs/dbraw/zinc/35/81/70/1071358170.db2.gz ZLZUUBGDIUCMFO-LURJTMIESA-N -1 0 417.404 -0.844 20 30 HBEDRM CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001180785058 1071356331 /nfs/dbraw/zinc/35/63/31/1071356331.db2.gz SSBIINHYHDYJGM-STQMWFEESA-N -1 0 422.442 -0.165 20 30 HBEDRM COc1ccc(C(=O)NCC(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cc1 ZINC001180809826 1071358715 /nfs/dbraw/zinc/35/87/15/1071358715.db2.gz KPTNCVLPOWKTCW-AWEZNQCLSA-N -1 0 421.412 -0.032 20 30 HBEDRM COc1ccc(C(=O)NCC(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cc1 ZINC001180809827 1071358461 /nfs/dbraw/zinc/35/84/61/1071358461.db2.gz KPTNCVLPOWKTCW-CQSZACIVSA-N -1 0 421.412 -0.032 20 30 HBEDRM CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC001180990601 1071365225 /nfs/dbraw/zinc/36/52/25/1071365225.db2.gz XABQYKMEINDTMW-UHFFFAOYSA-N -1 0 421.410 -0.093 20 30 HBEDRM N#Cc1cn(C2CN(C(=O)c3c[nH]nc3I)C2)c(=O)[n-]c1=O ZINC001181000436 1071364088 /nfs/dbraw/zinc/36/40/88/1071364088.db2.gz NWOXVDUXKFDZQL-UHFFFAOYSA-N -1 0 412.147 -0.155 20 30 HBEDRM N#Cc1cn(CC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c(=O)[n-]c1=O ZINC001181103403 1071365956 /nfs/dbraw/zinc/36/59/56/1071365956.db2.gz KKZUUFGPAUSECW-HZMBPMFUSA-N -1 0 420.369 -0.211 20 30 HBEDRM N#Cc1cn(CC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(=O)[n-]c1=O ZINC001181103404 1071365950 /nfs/dbraw/zinc/36/59/50/1071365950.db2.gz KKZUUFGPAUSECW-IINYFYTJSA-N -1 0 420.369 -0.211 20 30 HBEDRM N#Cc1cn(CC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(=O)[n-]c1=O ZINC001181103405 1071365669 /nfs/dbraw/zinc/36/56/69/1071365669.db2.gz KKZUUFGPAUSECW-QMTHXVAHSA-N -1 0 420.369 -0.211 20 30 HBEDRM N#Cc1cn(CC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c(=O)[n-]c1=O ZINC001181103406 1071365883 /nfs/dbraw/zinc/36/58/83/1071365883.db2.gz KKZUUFGPAUSECW-YGRLFVJLSA-N -1 0 420.369 -0.211 20 30 HBEDRM CCCCCCC[C@H](C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001181133506 1071368421 /nfs/dbraw/zinc/36/84/21/1071368421.db2.gz UTAAPPPRQVZNMH-RYQQKAPKSA-N -1 0 413.489 -0.274 20 30 HBEDRM CCCCCCC[C@H](C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001181133507 1071368742 /nfs/dbraw/zinc/36/87/42/1071368742.db2.gz UTAAPPPRQVZNMH-SFEJEDPTSA-N -1 0 413.489 -0.274 20 30 HBEDRM CCCCCCC[C@@H](C)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001181133508 1071369252 /nfs/dbraw/zinc/36/92/52/1071369252.db2.gz UTAAPPPRQVZNMH-XFBSOKCSSA-N -1 0 413.489 -0.274 20 30 HBEDRM CCCCCCC[C@@H](C)C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001181133509 1071369116 /nfs/dbraw/zinc/36/91/16/1071369116.db2.gz UTAAPPPRQVZNMH-YIXJMHAVSA-N -1 0 413.489 -0.274 20 30 HBEDRM CC(=O)N[C@H](CC(F)(F)F)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001181342694 1071372807 /nfs/dbraw/zinc/37/28/07/1071372807.db2.gz GRHGJFQQFCJGES-BDAKNGLRSA-N -1 0 411.339 -0.014 20 30 HBEDRM CC(=O)N[C@@H](CC(F)(F)F)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001181342699 1071372723 /nfs/dbraw/zinc/37/27/23/1071372723.db2.gz GRHGJFQQFCJGES-DTWKUNHWSA-N -1 0 411.339 -0.014 20 30 HBEDRM CC(=O)N[C@@H](CC(F)(F)F)C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001181342701 1071372507 /nfs/dbraw/zinc/37/25/07/1071372507.db2.gz GRHGJFQQFCJGES-IUCAKERBSA-N -1 0 411.339 -0.014 20 30 HBEDRM CC(=O)N[C@H](CC(F)(F)F)C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001181342702 1071372595 /nfs/dbraw/zinc/37/25/95/1071372595.db2.gz GRHGJFQQFCJGES-RKDXNWHRSA-N -1 0 411.339 -0.014 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)CC1CCS(=O)(=O)CC1 ZINC001181544365 1071377319 /nfs/dbraw/zinc/37/73/19/1071377319.db2.gz VYCDFYMWZRNCBE-GFCCVEGCSA-N -1 0 404.447 -0.256 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)CC1CCS(=O)(=O)CC1 ZINC001181544366 1071377191 /nfs/dbraw/zinc/37/71/91/1071377191.db2.gz VYCDFYMWZRNCBE-LBPRGKRZSA-N -1 0 404.447 -0.256 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)Cn1nc(Cl)ccc1=O ZINC001181896324 1071384616 /nfs/dbraw/zinc/38/46/16/1071384616.db2.gz NLRYGFSFXYJBIY-LLVKDONJSA-N -1 0 400.781 -0.561 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cn1nc(Cl)ccc1=O ZINC001181896329 1071384649 /nfs/dbraw/zinc/38/46/49/1071384649.db2.gz NLRYGFSFXYJBIY-NSHDSACASA-N -1 0 400.781 -0.561 20 30 HBEDRM CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCC(=O)CCC(=O)[O-] ZINC001182159340 1071393983 /nfs/dbraw/zinc/39/39/83/1071393983.db2.gz WHQILBOITNKGTN-NEPJUHHUSA-N -1 0 422.456 -0.109 20 30 HBEDRM N#Cc1cccc2[nH]cc(CC(=O)n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)c21 ZINC001182577142 1071425558 /nfs/dbraw/zinc/42/55/58/1071425558.db2.gz MJUFHMKOQDQDIF-UHFFFAOYSA-N -1 0 403.380 -0.056 20 30 HBEDRM CC#CCCCCCCCC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001182771731 1071429893 /nfs/dbraw/zinc/42/98/93/1071429893.db2.gz HXSZPUYYOVEREW-LMHBHQSJSA-N -1 0 423.484 -0.516 20 30 HBEDRM CC#CCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001182771732 1071429975 /nfs/dbraw/zinc/42/99/75/1071429975.db2.gz HXSZPUYYOVEREW-NHMWIVBRSA-N -1 0 423.484 -0.516 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)Cn1c(=O)cnc2ccccc21 ZINC001182945650 1071438462 /nfs/dbraw/zinc/43/84/62/1071438462.db2.gz WLYOCIQBERTZJK-HNNXBMFYSA-N -1 0 416.396 -0.061 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)Cn1c(=O)cnc2ccccc21 ZINC001182945653 1071438545 /nfs/dbraw/zinc/43/85/45/1071438545.db2.gz WLYOCIQBERTZJK-OAHLLOKOSA-N -1 0 416.396 -0.061 20 30 HBEDRM CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001182982931 1071442199 /nfs/dbraw/zinc/44/21/99/1071442199.db2.gz DDUPSQYHXIZOIU-UBHSHLNASA-N -1 0 410.475 -0.413 20 30 HBEDRM CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001182982932 1071442786 /nfs/dbraw/zinc/44/27/86/1071442786.db2.gz DDUPSQYHXIZOIU-XBFCOCLRSA-N -1 0 410.475 -0.413 20 30 HBEDRM CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCS(=O)(=O)[O-] ZINC001182985122 1071443514 /nfs/dbraw/zinc/44/35/14/1071443514.db2.gz ZWLUNAJUOGDPKC-AGIUHOORSA-N -1 0 407.489 -0.592 20 30 HBEDRM CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCS(=O)(=O)[O-] ZINC001182985123 1071443398 /nfs/dbraw/zinc/44/33/98/1071443398.db2.gz ZWLUNAJUOGDPKC-AVGNSLFASA-N -1 0 407.489 -0.592 20 30 HBEDRM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N(O)C(=N)c3nonc3N)=C([C@H]3CCCO3)S[C@H]12 ZINC001183455171 1071459785 /nfs/dbraw/zinc/45/97/85/1071459785.db2.gz RBWXJLPAGDRBHZ-JGYRMORNSA-N -1 0 410.412 -0.502 20 30 HBEDRM CC1(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])CCS(=O)(=O)CC1 ZINC001183681718 1071467088 /nfs/dbraw/zinc/46/70/88/1071467088.db2.gz MXFGPYBRSIAPSZ-JTQLQIEISA-N -1 0 404.447 -0.256 20 30 HBEDRM CC1(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])CCS(=O)(=O)CC1 ZINC001183681727 1071467078 /nfs/dbraw/zinc/46/70/78/1071467078.db2.gz MXFGPYBRSIAPSZ-SNVBAGLBSA-N -1 0 404.447 -0.256 20 30 HBEDRM O=C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001184521228 1071498279 /nfs/dbraw/zinc/49/82/79/1071498279.db2.gz JIGVPGMPZZZVKX-UMSGYPCISA-N -1 0 402.252 -0.945 20 30 HBEDRM N#Cc1c(Cl)cc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)nc1Cl ZINC001184796315 1071501684 /nfs/dbraw/zinc/50/16/84/1071501684.db2.gz RJYKHYCKQBTCEG-UHFFFAOYSA-N -1 0 420.194 -0.029 20 30 HBEDRM C=C[C@@H]1C[C@]1(NS(=O)(=O)c1cnc(Cl)nc1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001185069399 1071505346 /nfs/dbraw/zinc/50/53/46/1071505346.db2.gz MIUAPGXQULCTOR-AMIZOPFISA-N -1 0 406.873 -0.039 20 30 HBEDRM Cn1c(=O)[n-]c(N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(C#N)c1=O ZINC001185394965 1071513900 /nfs/dbraw/zinc/51/39/00/1071513900.db2.gz UETVRHKTTVCAOP-UHFFFAOYSA-N -1 0 409.390 -0.262 20 30 HBEDRM C=CCOCc1nn(C)c2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])CC2 ZINC001185652862 1071522712 /nfs/dbraw/zinc/52/27/12/1071522712.db2.gz BYNNVMSGSVRVSN-UHFFFAOYSA-N -1 0 400.376 -0.444 20 30 HBEDRM CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185656269 1071524592 /nfs/dbraw/zinc/52/45/92/1071524592.db2.gz DTERAIJEELCGGT-SNVBAGLBSA-N -1 0 404.364 -0.493 20 30 HBEDRM CN(CC(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667029 1071527715 /nfs/dbraw/zinc/52/77/15/1071527715.db2.gz ICIAOLIHHNBOCS-UHFFFAOYSA-N -1 0 422.382 -0.172 20 30 HBEDRM NC(=O)COc1ccc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cc1 ZINC001186070918 1071539640 /nfs/dbraw/zinc/53/96/40/1071539640.db2.gz UAAAPFMPWSFMBI-CYBMUJFWSA-N -1 0 407.385 -0.293 20 30 HBEDRM NC(=O)COc1ccc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cc1 ZINC001186070919 1071540049 /nfs/dbraw/zinc/54/00/49/1071540049.db2.gz UAAAPFMPWSFMBI-ZDUSSCGKSA-N -1 0 407.385 -0.293 20 30 HBEDRM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001186637173 1071569772 /nfs/dbraw/zinc/56/97/72/1071569772.db2.gz ZAOSRQCYAYPYJK-GUBZILKMSA-N -1 0 407.402 -0.125 20 30 HBEDRM N#C[C@H]1C[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001186970442 1071582401 /nfs/dbraw/zinc/58/24/01/1071582401.db2.gz ZMCOVDXAOSVGOA-DXZGDZHUSA-N -1 0 422.294 -0.301 20 30 HBEDRM N#C[C@H]1C[C@H]1C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001186970443 1071582320 /nfs/dbraw/zinc/58/23/20/1071582320.db2.gz ZMCOVDXAOSVGOA-XRNJGDOBSA-N -1 0 422.294 -0.301 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cccc(-n2cnnn2)c1 ZINC001186984507 1071581821 /nfs/dbraw/zinc/58/18/21/1071581821.db2.gz WTXQBFDHJDLANJ-GFCCVEGCSA-N -1 0 402.373 -0.182 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cccc(-n2cnnn2)c1 ZINC001186984511 1071581750 /nfs/dbraw/zinc/58/17/50/1071581750.db2.gz WTXQBFDHJDLANJ-LBPRGKRZSA-N -1 0 402.373 -0.182 20 30 HBEDRM O=C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001187075580 1071583476 /nfs/dbraw/zinc/58/34/76/1071583476.db2.gz ICECLEQNAKAVDL-UMSGYPCISA-N -1 0 402.252 -0.945 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cnc(N2CCOCC2)nc1 ZINC001189403456 1071621322 /nfs/dbraw/zinc/62/13/22/1071621322.db2.gz QXHNPNRHDAZUHD-GFCCVEGCSA-N -1 0 421.416 -0.531 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cnc(N2CCOCC2)nc1 ZINC001189403460 1071621242 /nfs/dbraw/zinc/62/12/42/1071621242.db2.gz QXHNPNRHDAZUHD-LBPRGKRZSA-N -1 0 421.416 -0.531 20 30 HBEDRM N#Cc1c[n-]c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=O ZINC001189575113 1071627548 /nfs/dbraw/zinc/62/75/48/1071627548.db2.gz SQXQAAIVZCAYSY-UHFFFAOYSA-N -1 0 421.410 -0.920 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cc(CN2CCOCC2)on1 ZINC001190212118 1071636661 /nfs/dbraw/zinc/63/66/61/1071636661.db2.gz HSGNEBTWWHJTKX-CYBMUJFWSA-N -1 0 424.416 -0.337 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cc(CN2CCOCC2)on1 ZINC001190212123 1071636620 /nfs/dbraw/zinc/63/66/20/1071636620.db2.gz HSGNEBTWWHJTKX-ZDUSSCGKSA-N -1 0 424.416 -0.337 20 30 HBEDRM C=C(C)Cc1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1 ZINC001190232679 1071635330 /nfs/dbraw/zinc/63/53/30/1071635330.db2.gz FLHSPMIFNJCIHY-DRXUAVOGSA-N -1 0 417.436 -0.838 20 30 HBEDRM C=C(C)Cc1ccc(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1 ZINC001190232681 1071635421 /nfs/dbraw/zinc/63/54/21/1071635421.db2.gz FLHSPMIFNJCIHY-IETPZCKNSA-N -1 0 417.436 -0.838 20 30 HBEDRM C=CCC1(S(=O)(=O)[N-]c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001190773321 1071645490 /nfs/dbraw/zinc/64/54/90/1071645490.db2.gz VQXYWALXRMHKTI-ADGXKJENSA-N -1 0 411.440 -0.712 20 30 HBEDRM C=CCC1(S(=O)(=O)[N-]c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001190773327 1071645400 /nfs/dbraw/zinc/64/54/00/1071645400.db2.gz VQXYWALXRMHKTI-SDBHATRESA-N -1 0 411.440 -0.712 20 30 HBEDRM C=CCC1(S(=O)(=O)[N-]c2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001190773593 1071645450 /nfs/dbraw/zinc/64/54/50/1071645450.db2.gz HZHSCHREBGJVHH-BRXULGCHSA-N -1 0 410.452 -0.107 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cncc(N2CCOCC2)n1 ZINC001190777579 1071645414 /nfs/dbraw/zinc/64/54/14/1071645414.db2.gz LRWWAVSUYQTGON-CYBMUJFWSA-N -1 0 421.416 -0.531 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cncc(N2CCOCC2)n1 ZINC001190777581 1071645560 /nfs/dbraw/zinc/64/55/60/1071645560.db2.gz LRWWAVSUYQTGON-ZDUSSCGKSA-N -1 0 421.416 -0.531 20 30 HBEDRM N#Cc1c(N)nc(=NC2CC2)n(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])c1N ZINC001191017103 1071648511 /nfs/dbraw/zinc/64/85/11/1071648511.db2.gz IYGYHVBVCLTGOY-UHFFFAOYSA-N -1 0 423.842 -0.323 20 30 HBEDRM CC(C)(O)C#Cc1ccc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)cc1 ZINC001191160618 1071650886 /nfs/dbraw/zinc/65/08/86/1071650886.db2.gz NGBYGTGTCAZHTG-UHFFFAOYSA-N -1 0 407.408 -0.481 20 30 HBEDRM N#Cc1cn(CCNS(=O)(=O)c2ncccc2Br)c(=O)[n-]c1=O ZINC001192714998 1071671984 /nfs/dbraw/zinc/67/19/84/1071671984.db2.gz IGOOJHHUGKWWQX-UHFFFAOYSA-N -1 0 400.214 -0.043 20 30 HBEDRM CSC[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)CC#N)[C@H](O)[C@@H]1O ZINC001192938849 1071675057 /nfs/dbraw/zinc/67/50/57/1071675057.db2.gz HTOLJHNDYQTWII-QYVSTXNMSA-N -1 0 400.442 -0.926 20 30 HBEDRM C=C[C@@H]1C[C@]1(NS(=O)(=O)C(C)(C)C(=O)OCC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001193078065 1071676884 /nfs/dbraw/zinc/67/68/84/1071676884.db2.gz NPIYDLSXURPHCP-MEBBXXQBSA-N -1 0 408.498 -0.199 20 30 HBEDRM C[C@H](C#N)S(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001193104747 1071677491 /nfs/dbraw/zinc/67/74/91/1071677491.db2.gz MQUVTRLDWGZSLB-BZNPZCIMSA-N -1 0 402.820 -0.226 20 30 HBEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001193104766 1071677479 /nfs/dbraw/zinc/67/74/79/1071677479.db2.gz MQUVTRLDWGZSLB-RBXMUDONSA-N -1 0 402.820 -0.226 20 30 HBEDRM CSC[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)[C@H](C)C#N)[C@H](O)[C@@H]1O ZINC001193105177 1071677503 /nfs/dbraw/zinc/67/75/03/1071677503.db2.gz RQLSTBAYVZLELB-BAYCTPFLSA-N -1 0 414.469 -0.538 20 30 HBEDRM CSC[C@H]1O[C@@H](n2cnc3c2ncnc3[N-]S(=O)(=O)[C@@H](C)C#N)[C@H](O)[C@@H]1O ZINC001193105178 1071677347 /nfs/dbraw/zinc/67/73/47/1071677347.db2.gz RQLSTBAYVZLELB-TWBCTODHSA-N -1 0 414.469 -0.538 20 30 HBEDRM C[C@H](C#N)S(=O)(=O)[N-]c1ccccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC001193145938 1071679072 /nfs/dbraw/zinc/67/90/72/1071679072.db2.gz CQIRQANGCIWLSW-CYBMUJFWSA-N -1 0 402.498 -0.361 20 30 HBEDRM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1S(=O)(=O)N1CCN(CCO)CC1 ZINC001193145940 1071679209 /nfs/dbraw/zinc/67/92/09/1071679209.db2.gz CQIRQANGCIWLSW-ZDUSSCGKSA-N -1 0 402.498 -0.361 20 30 HBEDRM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@@H](C)C#N)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001193170705 1071678443 /nfs/dbraw/zinc/67/84/43/1071678443.db2.gz QRHLYEUVYAGZIL-GDLCADMTSA-N -1 0 404.466 -0.113 20 30 HBEDRM CCOC(=O)[C@H]([N-]S(=O)(=O)[C@H](C)C#N)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001193170712 1071678350 /nfs/dbraw/zinc/67/83/50/1071678350.db2.gz QRHLYEUVYAGZIL-HONMWMINSA-N -1 0 404.466 -0.113 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1ccc(-n2cncn2)nc1 ZINC001193700356 1071691938 /nfs/dbraw/zinc/69/19/38/1071691938.db2.gz LOHBWSWHHFTBBQ-GFCCVEGCSA-N -1 0 402.373 -0.182 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1ccc(-n2cncn2)nc1 ZINC001193700357 1071691884 /nfs/dbraw/zinc/69/18/84/1071691884.db2.gz LOHBWSWHHFTBBQ-LBPRGKRZSA-N -1 0 402.373 -0.182 20 30 HBEDRM CCCCCCCOC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001194019493 1071695780 /nfs/dbraw/zinc/69/57/80/1071695780.db2.gz NCRWODOHOJSTNO-SYLRKERUSA-N -1 0 401.434 -0.690 20 30 HBEDRM CCCCCCCOC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001194019494 1071695738 /nfs/dbraw/zinc/69/57/38/1071695738.db2.gz NCRWODOHOJSTNO-VEGXAWMVSA-N -1 0 401.434 -0.690 20 30 HBEDRM CS(=O)(=O)c1cncc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c1 ZINC001194140634 1071698637 /nfs/dbraw/zinc/69/86/37/1071698637.db2.gz PGLCKCPSYUCXOR-LLVKDONJSA-N -1 0 413.414 -0.359 20 30 HBEDRM CS(=O)(=O)c1cncc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])c1 ZINC001194140635 1071698788 /nfs/dbraw/zinc/69/87/88/1071698788.db2.gz PGLCKCPSYUCXOR-NSHDSACASA-N -1 0 413.414 -0.359 20 30 HBEDRM COCCn1cccc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c1=O ZINC001194503902 1071704218 /nfs/dbraw/zinc/70/42/18/1071704218.db2.gz DEUAFXPPHSMLKB-GFCCVEGCSA-N -1 0 409.401 -0.349 20 30 HBEDRM COCCn1cccc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])c1=O ZINC001194503903 1071704090 /nfs/dbraw/zinc/70/40/90/1071704090.db2.gz DEUAFXPPHSMLKB-LBPRGKRZSA-N -1 0 409.401 -0.349 20 30 HBEDRM CS(=O)(=O)c1cc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])ccn1 ZINC001194694957 1071707640 /nfs/dbraw/zinc/70/76/40/1071707640.db2.gz YARULAQFUQKJFP-LLVKDONJSA-N -1 0 413.414 -0.359 20 30 HBEDRM CS(=O)(=O)c1cc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])ccn1 ZINC001194694958 1071707726 /nfs/dbraw/zinc/70/77/26/1071707726.db2.gz YARULAQFUQKJFP-NSHDSACASA-N -1 0 413.414 -0.359 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cn(-c2cnccn2)cn1 ZINC001194732762 1071707617 /nfs/dbraw/zinc/70/76/17/1071707617.db2.gz HJWHSBHNTNWIMM-GFCCVEGCSA-N -1 0 402.373 -0.182 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cn(-c2cnccn2)cn1 ZINC001194732764 1071707777 /nfs/dbraw/zinc/70/77/77/1071707777.db2.gz HJWHSBHNTNWIMM-LBPRGKRZSA-N -1 0 402.373 -0.182 20 30 HBEDRM C=C[C@@H]1C[C@]1(NS(=O)(=O)c1cccnc1OC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001194738290 1071708295 /nfs/dbraw/zinc/70/82/95/1071708295.db2.gz BNUQOMOOISFYFD-MEBBXXQBSA-N -1 0 401.466 -0.078 20 30 HBEDRM CCCCCCCCOC(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001194753961 1071708268 /nfs/dbraw/zinc/70/82/68/1071708268.db2.gz XMNWLPVJIAURGL-DHGKCCLASA-N -1 0 415.461 -0.300 20 30 HBEDRM CCCCCCCCOC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001194753962 1071708343 /nfs/dbraw/zinc/70/83/43/1071708343.db2.gz XMNWLPVJIAURGL-KSTCHIGDSA-N -1 0 415.461 -0.300 20 30 HBEDRM C=C[C@@H]1C[C@]1(NS(=O)(=O)c1ccc(OC)nc1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001195748776 1071726662 /nfs/dbraw/zinc/72/66/62/1071726662.db2.gz XJGGNTXPMZFRQH-MEBBXXQBSA-N -1 0 401.466 -0.078 20 30 HBEDRM CS(=O)(=O)c1cccc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])n1 ZINC001196421890 1071738868 /nfs/dbraw/zinc/73/88/68/1071738868.db2.gz LWVPRFLYTHRSRZ-LLVKDONJSA-N -1 0 413.414 -0.359 20 30 HBEDRM CS(=O)(=O)c1cccc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])n1 ZINC001196421892 1071739066 /nfs/dbraw/zinc/73/90/66/1071739066.db2.gz LWVPRFLYTHRSRZ-NSHDSACASA-N -1 0 413.414 -0.359 20 30 HBEDRM CS(=O)(=O)c1ccc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])nc1 ZINC001196721883 1071742525 /nfs/dbraw/zinc/74/25/25/1071742525.db2.gz WPWACAJZCXLFGE-LLVKDONJSA-N -1 0 413.414 -0.359 20 30 HBEDRM CS(=O)(=O)c1ccc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])nc1 ZINC001196721884 1071742587 /nfs/dbraw/zinc/74/25/87/1071742587.db2.gz WPWACAJZCXLFGE-NSHDSACASA-N -1 0 413.414 -0.359 20 30 HBEDRM N#Cc1cccc(-c2cc(C(=O)n3c(N)c(N)c(OS(=O)(=O)[O-])nc3=N)no2)c1 ZINC001196758881 1071742514 /nfs/dbraw/zinc/74/25/14/1071742514.db2.gz AGQIBQJVTRCIIU-UHFFFAOYSA-N -1 0 417.363 -0.076 20 30 HBEDRM C=C[C@@H]1C[C@]1(NS(=O)(=O)CCCCC(=O)OC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001196974028 1071744405 /nfs/dbraw/zinc/74/44/05/1071744405.db2.gz MWVVTOWAFLXBHY-IAQYHMDHSA-N -1 0 408.498 -0.198 20 30 HBEDRM O=C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001197539382 1071749373 /nfs/dbraw/zinc/74/93/73/1071749373.db2.gz LGICAVQGRGSSQI-UMSGYPCISA-N -1 0 402.252 -0.945 20 30 HBEDRM COCCn1cc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cnc1=O ZINC001197715576 1071751843 /nfs/dbraw/zinc/75/18/43/1071751843.db2.gz YHNPHUFNSWFWRS-LLVKDONJSA-N -1 0 410.389 -0.954 20 30 HBEDRM COCCn1cc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cnc1=O ZINC001197715577 1071751970 /nfs/dbraw/zinc/75/19/70/1071751970.db2.gz YHNPHUFNSWFWRS-NSHDSACASA-N -1 0 410.389 -0.954 20 30 HBEDRM O=C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001197763109 1071751913 /nfs/dbraw/zinc/75/19/13/1071751913.db2.gz GLRPIUHCDYYVEL-XKAARJIMSA-N -1 0 402.252 -0.945 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197780551 1071752619 /nfs/dbraw/zinc/75/26/19/1071752619.db2.gz JPRAPFVVAHAFSF-GFCCVEGCSA-N -1 0 406.401 -0.191 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197780552 1071752691 /nfs/dbraw/zinc/75/26/91/1071752691.db2.gz JPRAPFVVAHAFSF-LBPRGKRZSA-N -1 0 406.401 -0.191 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cnn(-c2ncccn2)c1 ZINC001197842503 1071753138 /nfs/dbraw/zinc/75/31/38/1071753138.db2.gz KLXWXIBBFQJXIR-LLVKDONJSA-N -1 0 402.373 -0.182 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cnn(-c2ncccn2)c1 ZINC001197842504 1071753176 /nfs/dbraw/zinc/75/31/76/1071753176.db2.gz KLXWXIBBFQJXIR-NSHDSACASA-N -1 0 402.373 -0.182 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cnc2ccccn2c1=O ZINC001198549178 1071764958 /nfs/dbraw/zinc/76/49/58/1071764958.db2.gz HFFRFJLXAMXQLX-GFCCVEGCSA-N -1 0 402.369 -0.149 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cnc2ccccn2c1=O ZINC001198549184 1071764838 /nfs/dbraw/zinc/76/48/38/1071764838.db2.gz HFFRFJLXAMXQLX-LBPRGKRZSA-N -1 0 402.369 -0.149 20 30 HBEDRM COCCn1c(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cccc1=O ZINC001198702061 1071766534 /nfs/dbraw/zinc/76/65/34/1071766534.db2.gz AMGQSGRHBIQIQJ-CYBMUJFWSA-N -1 0 409.401 -0.349 20 30 HBEDRM COCCn1c(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cccc1=O ZINC001198702062 1071766549 /nfs/dbraw/zinc/76/65/49/1071766549.db2.gz AMGQSGRHBIQIQJ-ZDUSSCGKSA-N -1 0 409.401 -0.349 20 30 HBEDRM COCCn1cc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])ccc1=O ZINC001198839749 1071768809 /nfs/dbraw/zinc/76/88/09/1071768809.db2.gz LKOQNPMDWHEQNZ-CYBMUJFWSA-N -1 0 409.401 -0.349 20 30 HBEDRM COCCn1cc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])ccc1=O ZINC001198839750 1071768840 /nfs/dbraw/zinc/76/88/40/1071768840.db2.gz LKOQNPMDWHEQNZ-ZDUSSCGKSA-N -1 0 409.401 -0.349 20 30 HBEDRM COCCOc1cnc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cn1 ZINC001199131832 1071772191 /nfs/dbraw/zinc/77/21/91/1071772191.db2.gz XXUVJWDJCSPBLZ-GFCCVEGCSA-N -1 0 410.389 -0.342 20 30 HBEDRM COCCOc1cnc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cn1 ZINC001199131833 1071772399 /nfs/dbraw/zinc/77/23/99/1071772399.db2.gz XXUVJWDJCSPBLZ-LBPRGKRZSA-N -1 0 410.389 -0.342 20 30 HBEDRM COCCOc1ccnc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])n1 ZINC001199199232 1071773571 /nfs/dbraw/zinc/77/35/71/1071773571.db2.gz OAZKPUWZKAXMOT-LLVKDONJSA-N -1 0 410.389 -0.342 20 30 HBEDRM COCCOc1ccnc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])n1 ZINC001199199236 1071774009 /nfs/dbraw/zinc/77/40/09/1071774009.db2.gz OAZKPUWZKAXMOT-NSHDSACASA-N -1 0 410.389 -0.342 20 30 HBEDRM COCCOc1ncc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])cn1 ZINC001199256032 1071775477 /nfs/dbraw/zinc/77/54/77/1071775477.db2.gz GGWDJVPXMCVPAP-LLVKDONJSA-N -1 0 410.389 -0.342 20 30 HBEDRM COCCOc1ncc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])cn1 ZINC001199256033 1071775285 /nfs/dbraw/zinc/77/52/85/1071775285.db2.gz GGWDJVPXMCVPAP-NSHDSACASA-N -1 0 410.389 -0.342 20 30 HBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1cn(-c2ncccn2)cn1 ZINC001199558240 1071778781 /nfs/dbraw/zinc/77/87/81/1071778781.db2.gz IXSWSIFBDXYCCA-LLVKDONJSA-N -1 0 402.373 -0.182 20 30 HBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1cn(-c2ncccn2)cn1 ZINC001199558244 1071779008 /nfs/dbraw/zinc/77/90/08/1071779008.db2.gz IXSWSIFBDXYCCA-NSHDSACASA-N -1 0 402.373 -0.182 20 30 HBEDRM C=C[C@@H]1C[C@]1(NC(=S)NCCCN1CCOCC1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001199954291 1071784641 /nfs/dbraw/zinc/78/46/41/1071784641.db2.gz FFOCZBMJUJRFSA-CXAGYDPISA-N -1 0 416.569 -0.274 20 30 HBEDRM C=CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O ZINC001202558786 1071897183 /nfs/dbraw/zinc/89/71/83/1071897183.db2.gz KXPXWOBITFUPKF-QYVSTXNMSA-N -1 0 412.299 -0.092 20 30 HBEDRM C=CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001202559102 1071896860 /nfs/dbraw/zinc/89/68/60/1071896860.db2.gz KXPXWOBITFUPKF-ISCDUZKHSA-N -1 0 412.299 -0.092 20 30 HBEDRM C=CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001202559103 1071897521 /nfs/dbraw/zinc/89/75/21/1071897521.db2.gz KXPXWOBITFUPKF-ZRPKBAQZSA-N -1 0 412.299 -0.092 20 30 HBEDRM C=CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@@H]12 ZINC001202562278 1071897707 /nfs/dbraw/zinc/89/77/07/1071897707.db2.gz IBWHWGHGJAEHHI-ISCDUZKHSA-N -1 0 412.299 -0.092 20 30 HBEDRM C=CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]2O[P@](=O)([O-])O[C@H]12 ZINC001202562281 1071897642 /nfs/dbraw/zinc/89/76/42/1071897642.db2.gz IBWHWGHGJAEHHI-ZRPKBAQZSA-N -1 0 412.299 -0.092 20 30 HBEDRM CN(C)S(=O)(=O)c1ccc(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc1 ZINC001648790377 1068270274 /nfs/dbraw/zinc/27/02/74/1068270274.db2.gz GTLZLCPSNAPXAH-UHFFFAOYSA-N -1 0 417.447 -0.303 20 30 HBEDRM CC(C)(C)OC(=O)N1CC(OCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC001648790582 1068270780 /nfs/dbraw/zinc/27/07/80/1068270780.db2.gz MSMTZOBCPJEJEQ-UHFFFAOYSA-N -1 0 405.411 -0.160 20 30 HBEDRM N#Cc1cn(C2CN(C(=O)Cn3cc(Br)ccc3=O)C2)c(=O)[n-]c1=O ZINC001648790599 1068270664 /nfs/dbraw/zinc/27/06/64/1068270664.db2.gz NGJJYMTWZVTFLS-UHFFFAOYSA-N -1 0 406.196 -0.172 20 30 HBEDRM N#Cc1cn(CCNS(=O)(=O)c2cncc(Br)c2)c(=O)[n-]c1=O ZINC001670465873 1068363191 /nfs/dbraw/zinc/36/31/91/1068363191.db2.gz RZMCMOCKZHAPEY-UHFFFAOYSA-N -1 0 400.214 -0.043 20 30 HBEDRM