smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015299291 1071573426 /nfs/dbraw/zinc/57/34/26/1071573426.db2.gz DILRXEBNRVZWAS-OAHLLOKOSA-N 1 2 418.560 -1.161 20 0 HAADLO CCN(CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015299292 1071573568 /nfs/dbraw/zinc/57/35/68/1071573568.db2.gz DILRXEBNRVZWAS-HNNXBMFYSA-N 1 2 418.560 -1.161 20 0 HAADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)CN4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000021422412 1071574024 /nfs/dbraw/zinc/57/40/24/1071574024.db2.gz FQTDJFLOFFXMCS-UHFFFAOYSA-N 1 2 419.486 -2.090 20 0 HAADLO CCOC(=O)C1=C(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)NC(=O)N[C@@H]1C ZINC000023324376 1070894487 /nfs/dbraw/zinc/89/44/87/1070894487.db2.gz CVECGTWFWDJRHP-CQSZACIVSA-N 1 2 409.487 -1.019 20 0 HAADLO CCOC(=O)C1=C(CN2CC[NH+](CC(=O)N3CCOCC3)CC2)NC(=O)N[C@H]1C ZINC000023324380 1070894249 /nfs/dbraw/zinc/89/42/49/1070894249.db2.gz CVECGTWFWDJRHP-AWEZNQCLSA-N 1 2 409.487 -1.019 20 0 HAADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)N4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000023670091 1072667111 /nfs/dbraw/zinc/66/71/11/1072667111.db2.gz ROZAYKCQPCZBLA-UHFFFAOYSA-N 1 2 405.459 -1.497 20 0 HAADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000024712080 1072666980 /nfs/dbraw/zinc/66/69/80/1072666980.db2.gz CQPIVZYVQSXWLC-UHFFFAOYSA-N 1 2 402.455 -1.132 20 0 HAADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000024712080 1072666976 /nfs/dbraw/zinc/66/69/76/1072666976.db2.gz CQPIVZYVQSXWLC-UHFFFAOYSA-N 1 2 402.455 -1.132 20 0 HAADLO CN(C)S(=O)(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000026169837 1071492498 /nfs/dbraw/zinc/49/24/98/1071492498.db2.gz UJOVPMORXGRYMC-UHFFFAOYSA-N 1 2 413.504 -1.752 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000027766076 1071575750 /nfs/dbraw/zinc/57/57/50/1071575750.db2.gz AJWPSMQIZXOPEF-UHFFFAOYSA-N 1 2 422.515 -1.411 20 0 HAADLO Cn1cc(S(=O)(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(=O)n(C)c1=O ZINC000028082782 1070925271 /nfs/dbraw/zinc/92/52/71/1070925271.db2.gz PMNJYDYWLPMHEQ-UHFFFAOYSA-N 1 2 413.500 -1.597 20 0 HAADLO Cn1cc(S(=O)(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(=O)n(C)c1=O ZINC000028082782 1070925260 /nfs/dbraw/zinc/92/52/60/1070925260.db2.gz PMNJYDYWLPMHEQ-UHFFFAOYSA-N 1 2 413.500 -1.597 20 0 HAADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)N4CCCC4)CC3)c2c(=O)n(C)c1=O ZINC000028722647 1071575580 /nfs/dbraw/zinc/57/55/80/1071575580.db2.gz JXKIROQOEVIMMC-UHFFFAOYSA-N 1 2 403.487 -1.326 20 0 HAADLO CCCCNC(=O)CN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000028722861 1070953005 /nfs/dbraw/zinc/95/30/05/1070953005.db2.gz DXKNDXLRWKIHOZ-UHFFFAOYSA-N 1 2 405.503 -1.032 20 0 HAADLO Cn1c2ncn(CC[NH+]3CCN(CC(=O)N4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000028729370 1072669216 /nfs/dbraw/zinc/66/92/16/1072669216.db2.gz HLFGENPPLOIMKH-UHFFFAOYSA-N 1 2 419.486 -2.090 20 0 HAADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000028751544 1071575689 /nfs/dbraw/zinc/57/56/89/1071575689.db2.gz SNNXXGPSNZJJIC-CYBMUJFWSA-N 1 2 403.487 -1.282 20 0 HAADLO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000028751544 1071575685 /nfs/dbraw/zinc/57/56/85/1071575685.db2.gz SNNXXGPSNZJJIC-CYBMUJFWSA-N 1 2 403.487 -1.282 20 0 HAADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000028751546 1071241031 /nfs/dbraw/zinc/24/10/31/1071241031.db2.gz SNNXXGPSNZJJIC-ZDUSSCGKSA-N 1 2 403.487 -1.282 20 0 HAADLO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000028751546 1071241021 /nfs/dbraw/zinc/24/10/21/1071241021.db2.gz SNNXXGPSNZJJIC-ZDUSSCGKSA-N 1 2 403.487 -1.282 20 0 HAADLO CS(=O)(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000028891780 1071142531 /nfs/dbraw/zinc/14/25/31/1071142531.db2.gz BGWKSJPKCFYWDE-UHFFFAOYSA-N 1 2 418.541 -1.040 20 0 HAADLO CC(C)N1C(=O)C(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000029546029 1071161949 /nfs/dbraw/zinc/16/19/49/1071161949.db2.gz VNJKZERFGYSZKZ-UHFFFAOYSA-N 1 2 416.504 -1.747 20 0 HAADLO Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O ZINC000030004319 1071576363 /nfs/dbraw/zinc/57/63/63/1071576363.db2.gz NTTYUBZJQYGWJL-UHFFFAOYSA-N 1 2 423.499 -1.635 20 0 HAADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000030424515 1070889572 /nfs/dbraw/zinc/88/95/72/1070889572.db2.gz KIADCXAXZFECAF-UHFFFAOYSA-N 1 2 401.489 -1.647 20 0 HAADLO Cc1cc(C)n2nc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nc2n1 ZINC000030698488 1071576682 /nfs/dbraw/zinc/57/66/82/1071576682.db2.gz NHKIROPNFMDMNS-UHFFFAOYSA-N 1 2 422.515 -1.009 20 0 HAADLO Cc1nnc(SCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n(N)c1=O ZINC000031347022 1071469586 /nfs/dbraw/zinc/46/95/86/1071469586.db2.gz WTROQMLARUBNFZ-UHFFFAOYSA-N 1 2 416.471 -1.222 20 0 HAADLO Cc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC000031371382 1071576705 /nfs/dbraw/zinc/57/67/05/1071576705.db2.gz YXJWUYTUSQVFNB-UHFFFAOYSA-N 1 2 412.516 -1.434 20 0 HAADLO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000031577599 1071576807 /nfs/dbraw/zinc/57/68/07/1071576807.db2.gz OODPFHDVOPZZQR-UHFFFAOYSA-N 1 2 408.503 -1.275 20 0 HAADLO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000031577599 1071576800 /nfs/dbraw/zinc/57/68/00/1071576800.db2.gz OODPFHDVOPZZQR-UHFFFAOYSA-N 1 2 408.503 -1.275 20 0 HAADLO Cn1c2ncn(CC(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)c2c(=O)n(C)c1=O ZINC000031941096 1071577355 /nfs/dbraw/zinc/57/73/55/1071577355.db2.gz QKPRXMPIQPFHTG-SFHVURJKSA-N 1 2 422.511 -1.242 20 0 HAADLO Cn1c2ncn(CC(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)c2c(=O)n(C)c1=O ZINC000031941098 1071577241 /nfs/dbraw/zinc/57/72/41/1071577241.db2.gz QKPRXMPIQPFHTG-GOSISDBHSA-N 1 2 422.511 -1.242 20 0 HAADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)c(=O)n2C ZINC000031942181 1071577212 /nfs/dbraw/zinc/57/72/12/1071577212.db2.gz WEQXIUKTLSKGBS-SFHVURJKSA-N 1 2 422.511 -1.242 20 0 HAADLO Cn1cnc2c1c(=O)n(CC(=O)NC[C@]1([NH+]3CCOCC3)CCSC1)c(=O)n2C ZINC000031942183 1071577271 /nfs/dbraw/zinc/57/72/71/1071577271.db2.gz WEQXIUKTLSKGBS-GOSISDBHSA-N 1 2 422.511 -1.242 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2=NNC(=O)CC2)CC1 ZINC000042087655 1072006859 /nfs/dbraw/zinc/00/68/59/1072006859.db2.gz ZHSHKTRHPPQZTJ-UHFFFAOYSA-N 1 2 400.399 -1.179 20 0 HAADLO CC(C)C(=O)NCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000043312555 1070801747 /nfs/dbraw/zinc/80/17/47/1070801747.db2.gz ZJMZROBGIKEJRB-UHFFFAOYSA-N 1 2 404.537 -1.422 20 0 HAADLO CC(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000043880107 1070843292 /nfs/dbraw/zinc/84/32/92/1070843292.db2.gz PAHCWAMAXWXYJD-UHFFFAOYSA-N 1 2 416.548 -1.183 20 0 HAADLO COC(=O)CCCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138595 1071359980 /nfs/dbraw/zinc/35/99/80/1071359980.db2.gz ZCKAGVFQUGIYSX-UHFFFAOYSA-N 1 2 407.562 -1.076 20 0 HAADLO CC(C)NC(=O)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000045575872 1071579102 /nfs/dbraw/zinc/57/91/02/1071579102.db2.gz VMDCGYYFRYVHKD-UHFFFAOYSA-N 1 2 404.537 -1.280 20 0 HAADLO CCCCNC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000046065012 1071071875 /nfs/dbraw/zinc/07/18/75/1071071875.db2.gz XSGRHTNTOYSAJZ-UHFFFAOYSA-N 1 2 404.537 -1.278 20 0 HAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000046408873 1070832473 /nfs/dbraw/zinc/83/24/73/1070832473.db2.gz ASMMGNQHOLQOFE-UHFFFAOYSA-N 1 2 402.455 -1.084 20 0 HAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000046408873 1070832448 /nfs/dbraw/zinc/83/24/48/1070832448.db2.gz ASMMGNQHOLQOFE-UHFFFAOYSA-N 1 2 402.455 -1.084 20 0 HAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000046408906 1071578995 /nfs/dbraw/zinc/57/89/95/1071578995.db2.gz VMJSPYUBOUQGQQ-UHFFFAOYSA-N 1 2 405.459 -1.896 20 0 HAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000046408906 1071578986 /nfs/dbraw/zinc/57/89/86/1071578986.db2.gz VMJSPYUBOUQGQQ-UHFFFAOYSA-N 1 2 405.459 -1.896 20 0 HAADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000046480433 1070810556 /nfs/dbraw/zinc/81/05/56/1070810556.db2.gz LSBAAKPRAYRJST-HNNXBMFYSA-N 1 2 405.521 -1.389 20 0 HAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000046480434 1070810425 /nfs/dbraw/zinc/81/04/25/1070810425.db2.gz LSBAAKPRAYRJST-OAHLLOKOSA-N 1 2 405.521 -1.389 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000046516390 1071579017 /nfs/dbraw/zinc/57/90/17/1071579017.db2.gz PRFDTIJGRXGCQL-OAHLLOKOSA-N 1 2 403.549 -1.378 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000046516390 1071579013 /nfs/dbraw/zinc/57/90/13/1071579013.db2.gz PRFDTIJGRXGCQL-OAHLLOKOSA-N 1 2 403.549 -1.378 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000046516393 1071579076 /nfs/dbraw/zinc/57/90/76/1071579076.db2.gz PRFDTIJGRXGCQL-HNNXBMFYSA-N 1 2 403.549 -1.378 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000046516393 1071579070 /nfs/dbraw/zinc/57/90/70/1071579070.db2.gz PRFDTIJGRXGCQL-HNNXBMFYSA-N 1 2 403.549 -1.378 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nncn1C ZINC000046962918 1071579577 /nfs/dbraw/zinc/57/95/77/1071579577.db2.gz NZJAXTZBMOTAMZ-ZDUSSCGKSA-N 1 2 400.509 -1.305 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nncn1C ZINC000046962919 1071579541 /nfs/dbraw/zinc/57/95/41/1071579541.db2.gz NZJAXTZBMOTAMZ-CYBMUJFWSA-N 1 2 400.509 -1.305 20 0 HAADLO CCn1cnnc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000046965108 1071579441 /nfs/dbraw/zinc/57/94/41/1071579441.db2.gz MUSPDKZDNAQCPY-UHFFFAOYSA-N 1 2 400.509 -1.383 20 0 HAADLO Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000047073935 1070917120 /nfs/dbraw/zinc/91/71/20/1070917120.db2.gz JNPNWZDJTAXTJV-UHFFFAOYSA-N 1 2 419.471 -1.276 20 0 HAADLO CS(=O)(=O)NCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000047831650 1070923014 /nfs/dbraw/zinc/92/30/14/1070923014.db2.gz GCEUBIQDVORKRC-UHFFFAOYSA-N 1 2 419.529 -1.411 20 0 HAADLO C[C@H](NS(C)(=O)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000047832325 1070819391 /nfs/dbraw/zinc/81/93/91/1070819391.db2.gz ZMBNIZJULAFORN-ZDUSSCGKSA-N 1 2 419.529 -1.413 20 0 HAADLO C[C@@H](NS(C)(=O)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000047832330 1070819279 /nfs/dbraw/zinc/81/92/79/1070819279.db2.gz ZMBNIZJULAFORN-CYBMUJFWSA-N 1 2 419.529 -1.413 20 0 HAADLO O=C(CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000048012326 1070945695 /nfs/dbraw/zinc/94/56/95/1070945695.db2.gz HGXKMNIGFQHWQO-UHFFFAOYSA-N 1 2 415.498 -1.062 20 0 HAADLO Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000048033494 1070825826 /nfs/dbraw/zinc/82/58/26/1070825826.db2.gz XUADFTNUIQNKNS-UHFFFAOYSA-N 1 2 400.461 -1.442 20 0 HAADLO CC(C)CS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000048197735 1070923588 /nfs/dbraw/zinc/92/35/88/1070923588.db2.gz JPLUVUHOLAGJBR-UHFFFAOYSA-N 1 2 410.562 -1.306 20 0 HAADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)o1 ZINC000051352046 1070935368 /nfs/dbraw/zinc/93/53/68/1070935368.db2.gz PAZUJTPREZSHIV-ZDUSSCGKSA-N 1 2 402.473 -1.622 20 0 HAADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)o1 ZINC000051352047 1070935563 /nfs/dbraw/zinc/93/55/63/1070935563.db2.gz PAZUJTPREZSHIV-CYBMUJFWSA-N 1 2 402.473 -1.622 20 0 HAADLO C[C@@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)S(C)(=O)=O ZINC000051609155 1072713473 /nfs/dbraw/zinc/71/34/73/1072713473.db2.gz VMWIFNJKVCKXEQ-NSHDSACASA-N 1 2 410.456 -1.012 20 0 HAADLO C[C@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)S(C)(=O)=O ZINC000051609157 1072713559 /nfs/dbraw/zinc/71/35/59/1072713559.db2.gz VMWIFNJKVCKXEQ-LLVKDONJSA-N 1 2 410.456 -1.012 20 0 HAADLO CC(C)CNC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051767950 1071204039 /nfs/dbraw/zinc/20/40/39/1071204039.db2.gz VASWWJRIWNARGT-UHFFFAOYSA-N 1 2 404.537 -1.422 20 0 HAADLO CCOC(=O)CCCNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768010 1071204075 /nfs/dbraw/zinc/20/40/75/1071204075.db2.gz PONXQUXGDGCILR-UHFFFAOYSA-N 1 2 419.548 -1.444 20 0 HAADLO CC(=O)N1CCN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000051768205 1070949610 /nfs/dbraw/zinc/94/96/10/1070949610.db2.gz WSVJZWBLYBJTIG-UHFFFAOYSA-N 1 2 416.548 -2.213 20 0 HAADLO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768378 1071204181 /nfs/dbraw/zinc/20/41/81/1071204181.db2.gz NNONHDJZKHJOHR-OAHLLOKOSA-N 1 2 418.564 -1.034 20 0 HAADLO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768379 1071204012 /nfs/dbraw/zinc/20/40/12/1071204012.db2.gz NNONHDJZKHJOHR-HNNXBMFYSA-N 1 2 418.564 -1.034 20 0 HAADLO C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768435 1071581817 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CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000150090517 1070879652 /nfs/dbraw/zinc/87/96/52/1070879652.db2.gz SAAABTMEPDAGMC-HUUCEWRRSA-N 1 2 402.517 -1.293 20 0 HAADLO C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542839 1071476798 /nfs/dbraw/zinc/47/67/98/1071476798.db2.gz ZVEKKPGTHUDTKE-CYBMUJFWSA-N 1 2 404.471 -1.812 20 0 HAADLO C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542839 1071476793 /nfs/dbraw/zinc/47/67/93/1071476793.db2.gz ZVEKKPGTHUDTKE-CYBMUJFWSA-N 1 2 404.471 -1.812 20 0 HAADLO C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542839 1071476790 /nfs/dbraw/zinc/47/67/90/1071476790.db2.gz ZVEKKPGTHUDTKE-CYBMUJFWSA-N 1 2 404.471 -1.812 20 0 HAADLO C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542839 1071476786 /nfs/dbraw/zinc/47/67/86/1071476786.db2.gz ZVEKKPGTHUDTKE-CYBMUJFWSA-N 1 2 404.471 -1.812 20 0 HAADLO C[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542841 1071476752 /nfs/dbraw/zinc/47/67/52/1071476752.db2.gz ZVEKKPGTHUDTKE-ZDUSSCGKSA-N 1 2 404.471 -1.812 20 0 HAADLO C[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542841 1071476746 /nfs/dbraw/zinc/47/67/46/1071476746.db2.gz ZVEKKPGTHUDTKE-ZDUSSCGKSA-N 1 2 404.471 -1.812 20 0 HAADLO C[C@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542841 1071476742 /nfs/dbraw/zinc/47/67/42/1071476742.db2.gz ZVEKKPGTHUDTKE-ZDUSSCGKSA-N 1 2 404.471 -1.812 20 0 HAADLO C[C@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)CCN1Cc1cc(=O)n(C)c(=O)n1C ZINC000195542841 1071476733 /nfs/dbraw/zinc/47/67/33/1071476733.db2.gz ZVEKKPGTHUDTKE-ZDUSSCGKSA-N 1 2 404.471 -1.812 20 0 HAADLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000303316006 1071483359 /nfs/dbraw/zinc/48/33/59/1071483359.db2.gz QFQOTWCUZHPBSM-AWEZNQCLSA-N 1 2 403.487 -1.328 20 0 HAADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000303316007 1071483287 /nfs/dbraw/zinc/48/32/87/1071483287.db2.gz QFQOTWCUZHPBSM-CQSZACIVSA-N 1 2 403.487 -1.328 20 0 HAADLO COCCNc1nc(N2CC(=O)N(C)[C@H](C)C2)[nH+]c(N2CC(=O)N(C)[C@H](C)C2)n1 ZINC000409544989 1071908222 /nfs/dbraw/zinc/90/82/22/1071908222.db2.gz VUSXNJYSNVESIO-CHWSQXEVSA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N2CC(=O)N(C)[C@H](C)C2)nc(N2CC(=O)N(C)[C@H](C)C2)[nH+]1 ZINC000409544989 1071908214 /nfs/dbraw/zinc/90/82/14/1071908214.db2.gz VUSXNJYSNVESIO-CHWSQXEVSA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N2CC(=O)N(C)[C@@H](C)C2)[nH+]c(N2CC(=O)N(C)[C@@H](C)C2)n1 ZINC000409544990 1071908781 /nfs/dbraw/zinc/90/87/81/1071908781.db2.gz VUSXNJYSNVESIO-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N2CC(=O)N(C)[C@@H](C)C2)nc(N2CC(=O)N(C)[C@@H](C)C2)[nH+]1 ZINC000409544990 1071908771 /nfs/dbraw/zinc/90/87/71/1071908771.db2.gz VUSXNJYSNVESIO-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO Cn1cc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2=O)cn1 ZINC000426838012 1071053474 /nfs/dbraw/zinc/05/34/74/1071053474.db2.gz PZHVRUYQWCQRDB-HNNXBMFYSA-N 1 2 404.471 -1.224 20 0 HAADLO Cn1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2=O)cn1 ZINC000426838018 1071053717 /nfs/dbraw/zinc/05/37/17/1071053717.db2.gz PZHVRUYQWCQRDB-OAHLLOKOSA-N 1 2 404.471 -1.224 20 0 HAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000427018572 1071055197 /nfs/dbraw/zinc/05/51/97/1071055197.db2.gz AQDMZCJBPDQAOY-HNNXBMFYSA-N 1 2 421.502 -0.856 20 0 HAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000427031919 1071055259 /nfs/dbraw/zinc/05/52/59/1071055259.db2.gz WUTUNDARAZQXAH-NSHDSACASA-N 1 2 404.427 -1.904 20 0 HAADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427032273 1071055307 /nfs/dbraw/zinc/05/53/07/1071055307.db2.gz ANORPUZUKWXEQL-AWEZNQCLSA-N 1 2 420.466 -1.018 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@H+]1CCO ZINC000427394800 1071057929 /nfs/dbraw/zinc/05/79/29/1071057929.db2.gz KYQUAWYZTPMEKN-LLVKDONJSA-N 1 2 404.427 -1.904 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCO ZINC000427394800 1071057925 /nfs/dbraw/zinc/05/79/25/1071057925.db2.gz KYQUAWYZTPMEKN-LLVKDONJSA-N 1 2 404.427 -1.904 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@H+]1CCO ZINC000427394801 1071058033 /nfs/dbraw/zinc/05/80/33/1071058033.db2.gz KYQUAWYZTPMEKN-NSHDSACASA-N 1 2 404.427 -1.904 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC[N@@H+]1CCO ZINC000427394801 1071058026 /nfs/dbraw/zinc/05/80/26/1071058026.db2.gz KYQUAWYZTPMEKN-NSHDSACASA-N 1 2 404.427 -1.904 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCN1CCO ZINC000427407535 1071058136 /nfs/dbraw/zinc/05/81/36/1071058136.db2.gz SDVWZHDOSVBHBB-HNNXBMFYSA-N 1 2 418.498 -1.067 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCN1CCO ZINC000427407536 1071057942 /nfs/dbraw/zinc/05/79/42/1071057942.db2.gz SDVWZHDOSVBHBB-OAHLLOKOSA-N 1 2 418.498 -1.067 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC[N@H+]1CCO ZINC000427417680 1071626852 /nfs/dbraw/zinc/62/68/52/1071626852.db2.gz ZAAMSQQMVIVRDX-HNNXBMFYSA-N 1 2 421.502 -0.856 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC[N@@H+]1CCO ZINC000427417680 1071626847 /nfs/dbraw/zinc/62/68/47/1071626847.db2.gz ZAAMSQQMVIVRDX-HNNXBMFYSA-N 1 2 421.502 -0.856 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC[N@H+]1CCO ZINC000427417682 1071638734 /nfs/dbraw/zinc/63/87/34/1071638734.db2.gz ZAAMSQQMVIVRDX-OAHLLOKOSA-N 1 2 421.502 -0.856 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC[N@@H+]1CCO ZINC000427417682 1071638728 /nfs/dbraw/zinc/63/87/28/1071638728.db2.gz ZAAMSQQMVIVRDX-OAHLLOKOSA-N 1 2 421.502 -0.856 20 0 HAADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427428420 1071058002 /nfs/dbraw/zinc/05/80/02/1071058002.db2.gz NPMYCKMKKIULAQ-AWEZNQCLSA-N 1 2 420.466 -1.018 20 0 HAADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427428420 1071057998 /nfs/dbraw/zinc/05/79/98/1071057998.db2.gz NPMYCKMKKIULAQ-AWEZNQCLSA-N 1 2 420.466 -1.018 20 0 HAADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427428421 1071058153 /nfs/dbraw/zinc/05/81/53/1071058153.db2.gz NPMYCKMKKIULAQ-CQSZACIVSA-N 1 2 420.466 -1.018 20 0 HAADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427428421 1071058150 /nfs/dbraw/zinc/05/81/50/1071058150.db2.gz NPMYCKMKKIULAQ-CQSZACIVSA-N 1 2 420.466 -1.018 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[N@H+]1CCO ZINC000427431006 1071626731 /nfs/dbraw/zinc/62/67/31/1071626731.db2.gz ZWXBDIGKFBXRGQ-AWEZNQCLSA-N 1 2 408.459 -1.795 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[N@@H+]1CCO ZINC000427431006 1071626728 /nfs/dbraw/zinc/62/67/28/1071626728.db2.gz ZWXBDIGKFBXRGQ-AWEZNQCLSA-N 1 2 408.459 -1.795 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[N@H+]1CCO ZINC000427431007 1071058771 /nfs/dbraw/zinc/05/87/71/1071058771.db2.gz ZWXBDIGKFBXRGQ-CQSZACIVSA-N 1 2 408.459 -1.795 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC[N@@H+]1CCO ZINC000427431007 1071058761 /nfs/dbraw/zinc/05/87/61/1071058761.db2.gz ZWXBDIGKFBXRGQ-CQSZACIVSA-N 1 2 408.459 -1.795 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC[N@H+]1CCO ZINC000427436097 1071058685 /nfs/dbraw/zinc/05/86/85/1071058685.db2.gz RDLSRTAFGFWTEC-AWEZNQCLSA-N 1 2 408.459 -1.795 20 0 HAADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000427436097 1071058680 /nfs/dbraw/zinc/05/86/80/1071058680.db2.gz RDLSRTAFGFWTEC-AWEZNQCLSA-N 1 2 408.459 -1.795 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC[N@H+]1CCO ZINC000427436101 1071058848 /nfs/dbraw/zinc/05/88/48/1071058848.db2.gz RDLSRTAFGFWTEC-CQSZACIVSA-N 1 2 408.459 -1.795 20 0 HAADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000427436101 1071058838 /nfs/dbraw/zinc/05/88/38/1071058838.db2.gz RDLSRTAFGFWTEC-CQSZACIVSA-N 1 2 408.459 -1.795 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1)N1CCOCC1 ZINC000427602349 1070865903 /nfs/dbraw/zinc/86/59/03/1070865903.db2.gz PDGAVPUFTZKIIP-INIZCTEOSA-N 1 2 408.421 -1.012 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1)N1CCOCC1 ZINC000427602349 1070865877 /nfs/dbraw/zinc/86/58/77/1070865877.db2.gz PDGAVPUFTZKIIP-INIZCTEOSA-N 1 2 408.421 -1.012 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC1)N1CCOCC1 ZINC000427602351 1070865975 /nfs/dbraw/zinc/86/59/75/1070865975.db2.gz PDGAVPUFTZKIIP-MRXNPFEDSA-N 1 2 408.421 -1.012 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CC1)N1CCOCC1 ZINC000427602351 1070865952 /nfs/dbraw/zinc/86/59/52/1070865952.db2.gz PDGAVPUFTZKIIP-MRXNPFEDSA-N 1 2 408.421 -1.012 20 0 HAADLO CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000427876735 1071081027 /nfs/dbraw/zinc/08/10/27/1071081027.db2.gz MZTCKWBHZVDNFI-INIZCTEOSA-N 1 2 408.503 -0.619 20 0 HAADLO CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000427876738 1071080714 /nfs/dbraw/zinc/08/07/14/1071080714.db2.gz MZTCKWBHZVDNFI-MRXNPFEDSA-N 1 2 408.503 -0.619 20 0 HAADLO Cn1c2ccc(NC(=O)CCC(=O)NC[C@@H]3CN(C)CC[N@H+]3C)nc2n(C)c1=O ZINC000428035536 1071082370 /nfs/dbraw/zinc/08/23/70/1071082370.db2.gz PPPHHBMEANDSAC-CYBMUJFWSA-N 1 2 403.487 -0.647 20 0 HAADLO Cn1c2ccc(NC(=O)CCC(=O)NC[C@@H]3CN(C)CC[N@@H+]3C)nc2n(C)c1=O ZINC000428035536 1071082362 /nfs/dbraw/zinc/08/23/62/1071082362.db2.gz PPPHHBMEANDSAC-CYBMUJFWSA-N 1 2 403.487 -0.647 20 0 HAADLO Cn1c2ccc(NC(=O)CCC(=O)NC[C@H]3CN(C)CC[N@H+]3C)nc2n(C)c1=O 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CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000437009463 1071019784 /nfs/dbraw/zinc/01/97/84/1071019784.db2.gz IJPCUVOIYGIDCE-OAHLLOKOSA-N 1 2 411.528 -1.005 20 0 HAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000437311639 1071021219 /nfs/dbraw/zinc/02/12/19/1071021219.db2.gz UBASMTLEVIYDDS-HNNXBMFYSA-N 1 2 407.496 -1.463 20 0 HAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000437311640 1071021143 /nfs/dbraw/zinc/02/11/43/1071021143.db2.gz UBASMTLEVIYDDS-OAHLLOKOSA-N 1 2 407.496 -1.463 20 0 HAADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000437341058 1071021624 /nfs/dbraw/zinc/02/16/24/1071021624.db2.gz DZCGXLVDOFHOSI-HNNXBMFYSA-N 1 2 407.496 -1.463 20 0 HAADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000437341059 1071022091 /nfs/dbraw/zinc/02/20/91/1071022091.db2.gz DZCGXLVDOFHOSI-OAHLLOKOSA-N 1 2 407.496 -1.463 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(CO)COC1 ZINC000437932105 1071026253 /nfs/dbraw/zinc/02/62/53/1071026253.db2.gz HYLVBADEWAFBNP-UHFFFAOYSA-N 1 2 413.500 -1.159 20 0 HAADLO Nc1noc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000437934959 1071026476 /nfs/dbraw/zinc/02/64/76/1071026476.db2.gz OLUCFSQCDGYWOB-UHFFFAOYSA-N 1 2 424.487 -0.960 20 0 HAADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438307588 1071627998 /nfs/dbraw/zinc/62/79/98/1071627998.db2.gz SKEKUTRSYXXRSZ-UHFFFAOYSA-N 1 2 421.502 -0.584 20 0 HAADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438313914 1071028208 /nfs/dbraw/zinc/02/82/08/1071028208.db2.gz GYQBTMKQBHSNQO-UHFFFAOYSA-N 1 2 419.486 -0.830 20 0 HAADLO CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438333556 1071028235 /nfs/dbraw/zinc/02/82/35/1071028235.db2.gz IIMFATDCIWRFPG-UHFFFAOYSA-N 1 2 421.502 -0.582 20 0 HAADLO COCCNC(=O)CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438367653 1071028839 /nfs/dbraw/zinc/02/88/39/1071028839.db2.gz WNWZYFOMGUTJMG-UHFFFAOYSA-N 1 2 423.518 -0.873 20 0 HAADLO COC(=O)Cn1cc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cn1 ZINC000438771869 1071031403 /nfs/dbraw/zinc/03/14/03/1071031403.db2.gz LTKWMWNOPNHWPI-UHFFFAOYSA-N 1 2 413.460 -1.269 20 0 HAADLO CNS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000439072192 1071034138 /nfs/dbraw/zinc/03/41/38/1071034138.db2.gz SQDKSHNBGHLMEZ-UHFFFAOYSA-N 1 2 412.538 -2.645 20 0 HAADLO C[C@@]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)(C(N)=O)c1ccccc1 ZINC000439146085 1070941302 /nfs/dbraw/zinc/94/13/02/1070941302.db2.gz YXDQQFUOJRZVBL-NRFANRHFSA-N 1 2 417.510 -1.020 20 0 HAADLO C[C@]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)(C(N)=O)c1ccccc1 ZINC000439146086 1070941079 /nfs/dbraw/zinc/94/10/79/1070941079.db2.gz YXDQQFUOJRZVBL-OAQYLSRUSA-N 1 2 417.510 -1.020 20 0 HAADLO CNS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000439154099 1071036404 /nfs/dbraw/zinc/03/64/04/1071036404.db2.gz QYJDCAALBOSUJD-UHFFFAOYSA-N 1 2 413.504 -1.306 20 0 HAADLO CNS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000439154099 1071036391 /nfs/dbraw/zinc/03/63/91/1071036391.db2.gz QYJDCAALBOSUJD-UHFFFAOYSA-N 1 2 413.504 -1.306 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000439213582 1071633390 /nfs/dbraw/zinc/63/33/90/1071633390.db2.gz IRRDJXHJHWIETJ-CABCVRRESA-N 1 2 404.471 -0.577 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000439213583 1071037479 /nfs/dbraw/zinc/03/74/79/1071037479.db2.gz IRRDJXHJHWIETJ-GJZGRUSLSA-N 1 2 404.471 -0.577 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000439213584 1071037455 /nfs/dbraw/zinc/03/74/55/1071037455.db2.gz IRRDJXHJHWIETJ-HUUCEWRRSA-N 1 2 404.471 -0.577 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000439213585 1071037361 /nfs/dbraw/zinc/03/73/61/1071037361.db2.gz IRRDJXHJHWIETJ-LSDHHAIUSA-N 1 2 404.471 -0.577 20 0 HAADLO Cc1onc(N)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000439215946 1071037402 /nfs/dbraw/zinc/03/74/02/1071037402.db2.gz NRJIANRWUTUGHR-UHFFFAOYSA-N 1 2 408.506 -1.636 20 0 HAADLO COCCn1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000439424277 1071039468 /nfs/dbraw/zinc/03/94/68/1071039468.db2.gz QWTNNVJXVZPPJT-UHFFFAOYSA-N 1 2 400.505 -1.221 20 0 HAADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439427165 1071640489 /nfs/dbraw/zinc/64/04/89/1071640489.db2.gz XHDZLKIBOKVBLN-AWEZNQCLSA-N 1 2 416.486 -1.085 20 0 HAADLO Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439427166 1071039562 /nfs/dbraw/zinc/03/95/62/1071039562.db2.gz XHDZLKIBOKVBLN-CQSZACIVSA-N 1 2 416.486 -1.085 20 0 HAADLO Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1C ZINC000439475099 1071629873 /nfs/dbraw/zinc/62/98/73/1071629873.db2.gz DMWWQHVGASDTSN-UHFFFAOYSA-N 1 2 413.504 -1.697 20 0 HAADLO O=S1(=O)CCCN1CCNc1cc(NCCN2CCCS2(=O)=O)[nH+]cn1 ZINC000439826503 1071043843 /nfs/dbraw/zinc/04/38/43/1071043843.db2.gz GGPCVWUOXJGYTC-UHFFFAOYSA-N 1 2 404.518 -0.629 20 0 HAADLO CCS(=O)(=O)N1CC(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000439955296 1071044899 /nfs/dbraw/zinc/04/48/99/1071044899.db2.gz YUWQQTQXZSXUOY-HNNXBMFYSA-N 1 2 402.517 -1.435 20 0 HAADLO CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000439955297 1071044781 /nfs/dbraw/zinc/04/47/81/1071044781.db2.gz YUWQQTQXZSXUOY-OAHLLOKOSA-N 1 2 402.517 -1.435 20 0 HAADLO COCn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000440067802 1071045823 /nfs/dbraw/zinc/04/58/23/1071045823.db2.gz ZPINNDHJYBDHLX-UHFFFAOYSA-N 1 2 422.533 -1.715 20 0 HAADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000440267533 1071047544 /nfs/dbraw/zinc/04/75/44/1071047544.db2.gz NSTGWZPUSWHNEF-CYBMUJFWSA-N 1 2 423.495 -1.092 20 0 HAADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000440267533 1071047535 /nfs/dbraw/zinc/04/75/35/1071047535.db2.gz NSTGWZPUSWHNEF-CYBMUJFWSA-N 1 2 423.495 -1.092 20 0 HAADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000440267538 1071047518 /nfs/dbraw/zinc/04/75/18/1071047518.db2.gz NSTGWZPUSWHNEF-ZDUSSCGKSA-N 1 2 423.495 -1.092 20 0 HAADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000440267538 1071047509 /nfs/dbraw/zinc/04/75/09/1071047509.db2.gz NSTGWZPUSWHNEF-ZDUSSCGKSA-N 1 2 423.495 -1.092 20 0 HAADLO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000440483306 1071054178 /nfs/dbraw/zinc/05/41/78/1071054178.db2.gz GGGMAFYRCSQKIX-CABCVRRESA-N 1 2 404.533 -1.553 20 0 HAADLO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000440483307 1071054191 /nfs/dbraw/zinc/05/41/91/1071054191.db2.gz GGGMAFYRCSQKIX-GJZGRUSLSA-N 1 2 404.533 -1.553 20 0 HAADLO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000440483308 1071053757 /nfs/dbraw/zinc/05/37/57/1071053757.db2.gz GGGMAFYRCSQKIX-HUUCEWRRSA-N 1 2 404.533 -1.553 20 0 HAADLO CCN(CC(=O)NC(C)C)C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000440483309 1071054316 /nfs/dbraw/zinc/05/43/16/1071054316.db2.gz GGGMAFYRCSQKIX-LSDHHAIUSA-N 1 2 404.533 -1.553 20 0 HAADLO CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000440563540 1071061289 /nfs/dbraw/zinc/06/12/89/1071061289.db2.gz HESXLPHTBBASKN-CYBMUJFWSA-N 1 2 414.484 -1.008 20 0 HAADLO CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000440563547 1071061038 /nfs/dbraw/zinc/06/10/38/1071061038.db2.gz HESXLPHTBBASKN-ZDUSSCGKSA-N 1 2 414.484 -1.008 20 0 HAADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000440642932 1070943384 /nfs/dbraw/zinc/94/33/84/1070943384.db2.gz RFNCHELEKRPMIB-HNNXBMFYSA-N 1 2 417.532 -2.258 20 0 HAADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000440642932 1070943372 /nfs/dbraw/zinc/94/33/72/1070943372.db2.gz 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COC(=O)CNC(=O)CN1CC[N@H+](CC(=O)NCC(=O)OC)C2(CCCCC2)C1 ZINC000440757384 1071062650 /nfs/dbraw/zinc/06/26/50/1071062650.db2.gz SUUBMJLJKAPQCM-UHFFFAOYSA-N 1 2 412.487 -1.115 20 0 HAADLO COC(=O)Cn1cc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000440834011 1071063058 /nfs/dbraw/zinc/06/30/58/1071063058.db2.gz POPAIFIBPDKKEL-UHFFFAOYSA-N 1 2 403.447 -1.138 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000440964113 1071062944 /nfs/dbraw/zinc/06/29/44/1071062944.db2.gz XECMXIQTGRJVCQ-HOTGVXAUSA-N 1 2 422.530 -1.922 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@H+](CC)[C@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000440964113 1071062933 /nfs/dbraw/zinc/06/29/33/1071062933.db2.gz XECMXIQTGRJVCQ-HOTGVXAUSA-N 1 2 422.530 -1.922 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000440964114 1071063172 /nfs/dbraw/zinc/06/31/72/1071063172.db2.gz XECMXIQTGRJVCQ-HZPDHXFCSA-N 1 2 422.530 -1.922 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@H+](CC)[C@@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000440964114 1071063159 /nfs/dbraw/zinc/06/31/59/1071063159.db2.gz XECMXIQTGRJVCQ-HZPDHXFCSA-N 1 2 422.530 -1.922 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000440964115 1071063256 /nfs/dbraw/zinc/06/32/56/1071063256.db2.gz XECMXIQTGRJVCQ-IYBDPMFKSA-N 1 2 422.530 -1.922 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@H+](CC)[C@@H]2CCNC2=O)CC1)[C@H]1CCNC1=O ZINC000440964115 1071063248 /nfs/dbraw/zinc/06/32/48/1071063248.db2.gz XECMXIQTGRJVCQ-IYBDPMFKSA-N 1 2 422.530 -1.922 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@@H+](CC)[C@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000440964115 1071063243 /nfs/dbraw/zinc/06/32/43/1071063243.db2.gz XECMXIQTGRJVCQ-IYBDPMFKSA-N 1 2 422.530 -1.922 20 0 HAADLO CCN(CC(=O)N1CCN(C(=O)C[N@H+](CC)[C@H]2CCNC2=O)CC1)[C@@H]1CCNC1=O ZINC000440964115 1071063233 /nfs/dbraw/zinc/06/32/33/1071063233.db2.gz XECMXIQTGRJVCQ-IYBDPMFKSA-N 1 2 422.530 -1.922 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000440995140 1071063213 /nfs/dbraw/zinc/06/32/13/1071063213.db2.gz CQPXVIQLUAJXPD-CYBMUJFWSA-N 1 2 407.406 -1.109 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000440995141 1071062995 /nfs/dbraw/zinc/06/29/95/1071062995.db2.gz CQPXVIQLUAJXPD-ZDUSSCGKSA-N 1 2 407.406 -1.109 20 0 HAADLO COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1-n1cnnn1 ZINC000440996751 1071063899 /nfs/dbraw/zinc/06/38/99/1071063899.db2.gz ZLAYZCBNFHXTSK-AWEZNQCLSA-N 1 2 419.442 -1.239 20 0 HAADLO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1-n1cnnn1 ZINC000440996758 1071063736 /nfs/dbraw/zinc/06/37/36/1071063736.db2.gz ZLAYZCBNFHXTSK-CQSZACIVSA-N 1 2 419.442 -1.239 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000440998467 1071063697 /nfs/dbraw/zinc/06/36/97/1071063697.db2.gz JCYAZPUQRIURLI-INIZCTEOSA-N 1 2 418.454 -1.339 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000440998468 1071063653 /nfs/dbraw/zinc/06/36/53/1071063653.db2.gz JCYAZPUQRIURLI-MRXNPFEDSA-N 1 2 418.454 -1.339 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000441002479 1071063947 /nfs/dbraw/zinc/06/39/47/1071063947.db2.gz SADKTYXXDILERT-PBHICJAKSA-N 1 2 420.466 -1.322 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000441002484 1071063771 /nfs/dbraw/zinc/06/37/71/1071063771.db2.gz SADKTYXXDILERT-RHSMWYFYSA-N 1 2 420.466 -1.322 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000441002486 1071063826 /nfs/dbraw/zinc/06/38/26/1071063826.db2.gz SADKTYXXDILERT-WMLDXEAASA-N 1 2 420.466 -1.322 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000441002489 1071063677 /nfs/dbraw/zinc/06/36/77/1071063677.db2.gz SADKTYXXDILERT-YOEHRIQHSA-N 1 2 420.466 -1.322 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000441022921 1071063626 /nfs/dbraw/zinc/06/36/26/1071063626.db2.gz NHWIMPTXVPGQDA-AWEZNQCLSA-N 1 2 405.455 -1.033 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000441022925 1071063807 /nfs/dbraw/zinc/06/38/07/1071063807.db2.gz NHWIMPTXVPGQDA-CQSZACIVSA-N 1 2 405.455 -1.033 20 0 HAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000441068955 1071064518 /nfs/dbraw/zinc/06/45/18/1071064518.db2.gz SRPNWFTUAMWCKM-HNNXBMFYSA-N 1 2 403.549 -1.379 20 0 HAADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000441068955 1071064512 /nfs/dbraw/zinc/06/45/12/1071064512.db2.gz SRPNWFTUAMWCKM-HNNXBMFYSA-N 1 2 403.549 -1.379 20 0 HAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000441068958 1071064440 /nfs/dbraw/zinc/06/44/40/1071064440.db2.gz SRPNWFTUAMWCKM-OAHLLOKOSA-N 1 2 403.549 -1.379 20 0 HAADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1 ZINC000441068958 1071064434 /nfs/dbraw/zinc/06/44/34/1071064434.db2.gz SRPNWFTUAMWCKM-OAHLLOKOSA-N 1 2 403.549 -1.379 20 0 HAADLO CCOC(=O)CNC(=O)C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000441089373 1071064530 /nfs/dbraw/zinc/06/45/30/1071064530.db2.gz KMKAHMZPBTZYJI-UHFFFAOYSA-N 1 2 409.443 -1.760 20 0 HAADLO CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000441097703 1071064338 /nfs/dbraw/zinc/06/43/38/1071064338.db2.gz PNFYUBXVXKGWGL-LLVKDONJSA-N 1 2 423.470 -1.371 20 0 HAADLO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000441097704 1071064470 /nfs/dbraw/zinc/06/44/70/1071064470.db2.gz PNFYUBXVXKGWGL-NSHDSACASA-N 1 2 423.470 -1.371 20 0 HAADLO CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000441318704 1071066719 /nfs/dbraw/zinc/06/67/19/1071066719.db2.gz PXPUFDFNSZEMRF-UHFFFAOYSA-N 1 2 406.487 -0.519 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441400917 1071067245 /nfs/dbraw/zinc/06/72/45/1071067245.db2.gz LZUQKAOGSZREME-HNNXBMFYSA-N 1 2 414.532 -1.437 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441400919 1071067466 /nfs/dbraw/zinc/06/74/66/1071067466.db2.gz LZUQKAOGSZREME-OAHLLOKOSA-N 1 2 414.532 -1.437 20 0 HAADLO C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000441422335 1071070166 /nfs/dbraw/zinc/07/01/66/1071070166.db2.gz CSMJISRIVGQVQX-CVEARBPZSA-N 1 2 419.548 -1.000 20 0 HAADLO C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000441422340 1071070047 /nfs/dbraw/zinc/07/00/47/1071070047.db2.gz CSMJISRIVGQVQX-HOTGVXAUSA-N 1 2 419.548 -1.000 20 0 HAADLO C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000441422342 1071070271 /nfs/dbraw/zinc/07/02/71/1071070271.db2.gz CSMJISRIVGQVQX-HZPDHXFCSA-N 1 2 419.548 -1.000 20 0 HAADLO C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000441422343 1071069887 /nfs/dbraw/zinc/06/98/87/1071069887.db2.gz CSMJISRIVGQVQX-JKSUJKDBSA-N 1 2 419.548 -1.000 20 0 HAADLO COCCCNC(=O)[C@H](C)[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441505949 1071072891 /nfs/dbraw/zinc/07/28/91/1071072891.db2.gz ZJGUKWIKMHTYSS-HNNXBMFYSA-N 1 2 416.548 -1.143 20 0 HAADLO COCCCNC(=O)[C@@H](C)[NH+]1CCN(CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000441505950 1071072621 /nfs/dbraw/zinc/07/26/21/1071072621.db2.gz ZJGUKWIKMHTYSS-OAHLLOKOSA-N 1 2 416.548 -1.143 20 0 HAADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442010654 1071093406 /nfs/dbraw/zinc/09/34/06/1071093406.db2.gz JVWLOPLIJKUCPB-CYBMUJFWSA-N 1 2 416.438 -1.666 20 0 HAADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442010657 1071093522 /nfs/dbraw/zinc/09/35/22/1071093522.db2.gz JVWLOPLIJKUCPB-ZDUSSCGKSA-N 1 2 416.438 -1.666 20 0 HAADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000442039161 1071093635 /nfs/dbraw/zinc/09/36/35/1071093635.db2.gz AZIUAKOCFIMRHR-CYBMUJFWSA-N 1 2 402.411 -1.072 20 0 HAADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000442039164 1071093673 /nfs/dbraw/zinc/09/36/73/1071093673.db2.gz AZIUAKOCFIMRHR-ZDUSSCGKSA-N 1 2 402.411 -1.072 20 0 HAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cc1C ZINC000442065374 1071627642 /nfs/dbraw/zinc/62/76/42/1071627642.db2.gz WGUULLQNAYTTCI-CYBMUJFWSA-N 1 2 408.459 -1.028 20 0 HAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cc1C ZINC000442065374 1071627640 /nfs/dbraw/zinc/62/76/40/1071627640.db2.gz WGUULLQNAYTTCI-CYBMUJFWSA-N 1 2 408.459 -1.028 20 0 HAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cc1C ZINC000442065377 1071627634 /nfs/dbraw/zinc/62/76/34/1071627634.db2.gz WGUULLQNAYTTCI-ZDUSSCGKSA-N 1 2 408.459 -1.028 20 0 HAADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cc1C ZINC000442065377 1071627632 /nfs/dbraw/zinc/62/76/32/1071627632.db2.gz WGUULLQNAYTTCI-ZDUSSCGKSA-N 1 2 408.459 -1.028 20 0 HAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)[C@H](C)C1 ZINC000442098384 1071096849 /nfs/dbraw/zinc/09/68/49/1071096849.db2.gz PZZOTBHGIBYMTP-CYBMUJFWSA-N 1 2 408.459 -0.994 20 0 HAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)[C@H](C)C1 ZINC000442098384 1071096840 /nfs/dbraw/zinc/09/68/40/1071096840.db2.gz PZZOTBHGIBYMTP-CYBMUJFWSA-N 1 2 408.459 -0.994 20 0 HAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)[C@@H](C)C1 ZINC000442098385 1071096879 /nfs/dbraw/zinc/09/68/79/1071096879.db2.gz PZZOTBHGIBYMTP-ZDUSSCGKSA-N 1 2 408.459 -0.994 20 0 HAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)[C@@H](C)C1 ZINC000442098385 1071096869 /nfs/dbraw/zinc/09/68/69/1071096869.db2.gz PZZOTBHGIBYMTP-ZDUSSCGKSA-N 1 2 408.459 -0.994 20 0 HAADLO COCC(=O)NC1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000442555736 1071104439 /nfs/dbraw/zinc/10/44/39/1071104439.db2.gz WPKJRDWXBOCHDJ-UHFFFAOYSA-N 1 2 418.454 -1.619 20 0 HAADLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443463386 1071115350 /nfs/dbraw/zinc/11/53/50/1071115350.db2.gz JAYQUQPCMXCYLN-CYBMUJFWSA-N 1 2 412.534 -1.622 20 0 HAADLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443463391 1071115336 /nfs/dbraw/zinc/11/53/36/1071115336.db2.gz JAYQUQPCMXCYLN-ZDUSSCGKSA-N 1 2 412.534 -1.622 20 0 HAADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443467703 1071116085 /nfs/dbraw/zinc/11/60/85/1071116085.db2.gz LSTTUXPLENSFGN-UHFFFAOYSA-N 1 2 411.550 -2.049 20 0 HAADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000443476089 1071118758 /nfs/dbraw/zinc/11/87/58/1071118758.db2.gz MXRAXYBAHMHGHI-HNNXBMFYSA-N 1 2 410.562 -1.005 20 0 HAADLO CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000443476095 1071118587 /nfs/dbraw/zinc/11/85/87/1071118587.db2.gz MXRAXYBAHMHGHI-OAHLLOKOSA-N 1 2 410.562 -1.005 20 0 HAADLO NS(=O)(=O)CCN1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000443489403 1071119378 /nfs/dbraw/zinc/11/93/78/1071119378.db2.gz TWVJACBHQAXRNU-INIZCTEOSA-N 1 2 421.589 -1.190 20 0 HAADLO NS(=O)(=O)CCN1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000443489406 1071119513 /nfs/dbraw/zinc/11/95/13/1071119513.db2.gz TWVJACBHQAXRNU-MRXNPFEDSA-N 1 2 421.589 -1.190 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000443893432 1071131850 /nfs/dbraw/zinc/13/18/50/1071131850.db2.gz DJAKHOCCAJNXNB-GFCCVEGCSA-N 1 2 405.459 -1.258 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1 ZINC000443893433 1071131841 /nfs/dbraw/zinc/13/18/41/1071131841.db2.gz DJAKHOCCAJNXNB-LBPRGKRZSA-N 1 2 405.459 -1.258 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ncn(C)n1 ZINC000444014042 1071132417 /nfs/dbraw/zinc/13/24/17/1071132417.db2.gz GRHYGSQLNHGAEG-CYBMUJFWSA-N 1 2 400.509 -1.305 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ncn(C)n1 ZINC000444014050 1071132337 /nfs/dbraw/zinc/13/23/37/1071132337.db2.gz GRHYGSQLNHGAEG-ZDUSSCGKSA-N 1 2 400.509 -1.305 20 0 HAADLO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000444053598 1071134820 /nfs/dbraw/zinc/13/48/20/1071134820.db2.gz CFYWIYAPNVTPPA-HNNXBMFYSA-N 1 2 410.562 -1.147 20 0 HAADLO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000444053599 1071135001 /nfs/dbraw/zinc/13/50/01/1071135001.db2.gz CFYWIYAPNVTPPA-OAHLLOKOSA-N 1 2 410.562 -1.147 20 0 HAADLO CN1CCN(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1=O ZINC000444070046 1071135798 /nfs/dbraw/zinc/13/57/98/1071135798.db2.gz CFHCKVKLTLXNHR-UHFFFAOYSA-N 1 2 403.487 -1.264 20 0 HAADLO CN1CCN(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1=O ZINC000444070046 1071135793 /nfs/dbraw/zinc/13/57/93/1071135793.db2.gz CFHCKVKLTLXNHR-UHFFFAOYSA-N 1 2 403.487 -1.264 20 0 HAADLO Cc1c[nH+]c(N2CCN(S(C)(=O)=O)CC2)nc1N1CCN(S(C)(=O)=O)CC1 ZINC000444110963 1071136587 /nfs/dbraw/zinc/13/65/87/1071136587.db2.gz LINFVIVIJDYQKU-UHFFFAOYSA-N 1 2 418.545 -1.052 20 0 HAADLO C[C@@H](O)CN1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)O2)CC1 ZINC000444382855 1071145154 /nfs/dbraw/zinc/14/51/54/1071145154.db2.gz MYGQDALZZWYPJE-BDXSIMOUSA-N 1 2 412.531 -1.416 20 0 HAADLO C[C@@H](O)CN1CCN(C(=O)[C@H]2CC[C@H](C(=O)N3CC[NH+](C[C@@H](C)O)CC3)O2)CC1 ZINC000444382856 1071144979 /nfs/dbraw/zinc/14/49/79/1071144979.db2.gz MYGQDALZZWYPJE-BRSBDYLESA-N 1 2 412.531 -1.416 20 0 HAADLO C[C@@H](O)CN1CCN(C(=O)CSCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444393598 1071145015 /nfs/dbraw/zinc/14/50/15/1071145015.db2.gz SHQZUGSKYAHIDL-HZPDHXFCSA-N 1 2 402.561 -1.230 20 0 HAADLO COCCn1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000444501122 1071148185 /nfs/dbraw/zinc/14/81/85/1071148185.db2.gz FUEWMIHFOLILNW-UHFFFAOYSA-N 1 2 413.442 -0.507 20 0 HAADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC1 ZINC000444516239 1071629900 /nfs/dbraw/zinc/62/99/00/1071629900.db2.gz BAJAXIVKBXZQOZ-CYBMUJFWSA-N 1 2 408.459 -0.994 20 0 HAADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)CC1 ZINC000444516240 1071629752 /nfs/dbraw/zinc/62/97/52/1071629752.db2.gz BAJAXIVKBXZQOZ-ZDUSSCGKSA-N 1 2 408.459 -0.994 20 0 HAADLO CCOC1CC(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)([NH+]2CCOCC2)C1 ZINC000444550767 1071149781 /nfs/dbraw/zinc/14/97/81/1071149781.db2.gz ODOGSHGXPWADCY-UHFFFAOYSA-N 1 2 418.560 -1.050 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)CC1)N1CCOCC1 ZINC000444681616 1070858984 /nfs/dbraw/zinc/85/89/84/1070858984.db2.gz QZIBKUNNMJQWQQ-UHFFFAOYSA-N 1 2 421.542 -1.066 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1)N1CCOCC1 ZINC000444681616 1070858961 /nfs/dbraw/zinc/85/89/61/1070858961.db2.gz QZIBKUNNMJQWQQ-UHFFFAOYSA-N 1 2 421.542 -1.066 20 0 HAADLO CCN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444692247 1071151402 /nfs/dbraw/zinc/15/14/02/1071151402.db2.gz LJQMCIINRORMLQ-KBPBESRZSA-N 1 2 403.439 -1.030 20 0 HAADLO CCN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444692251 1071151389 /nfs/dbraw/zinc/15/13/89/1071151389.db2.gz LJQMCIINRORMLQ-OKILXGFUSA-N 1 2 403.439 -1.030 20 0 HAADLO CCN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444692251 1071151386 /nfs/dbraw/zinc/15/13/86/1071151386.db2.gz LJQMCIINRORMLQ-OKILXGFUSA-N 1 2 403.439 -1.030 20 0 HAADLO CCN(C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444692253 1071151351 /nfs/dbraw/zinc/15/13/51/1071151351.db2.gz LJQMCIINRORMLQ-ZIAGYGMSSA-N 1 2 403.439 -1.030 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444707012 1071152053 /nfs/dbraw/zinc/15/20/53/1071152053.db2.gz XGOUDOMOFXXVLR-AVGNSLFASA-N 1 2 413.475 -1.264 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444707017 1071152242 /nfs/dbraw/zinc/15/22/42/1071152242.db2.gz XGOUDOMOFXXVLR-RWMBFGLXSA-N 1 2 413.475 -1.264 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444707017 1071152235 /nfs/dbraw/zinc/15/22/35/1071152235.db2.gz XGOUDOMOFXXVLR-RWMBFGLXSA-N 1 2 413.475 -1.264 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444707018 1071152004 /nfs/dbraw/zinc/15/20/04/1071152004.db2.gz XGOUDOMOFXXVLR-UPJWGTAASA-N 1 2 413.475 -1.264 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)c(=O)[nH]c1=O ZINC000444707018 1071151994 /nfs/dbraw/zinc/15/19/94/1071151994.db2.gz XGOUDOMOFXXVLR-UPJWGTAASA-N 1 2 413.475 -1.264 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)[NH+]2C[C@@H](O)[C@H](O)C2)c(=O)[nH]c1=O ZINC000444707019 1071152269 /nfs/dbraw/zinc/15/22/69/1071152269.db2.gz XGOUDOMOFXXVLR-YNEHKIRRSA-N 1 2 413.475 -1.264 20 0 HAADLO COC(=O)[C@H]1[C@H](O)CCCN1CC1(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740297 1071152892 /nfs/dbraw/zinc/15/28/92/1071152892.db2.gz XKTYANIDKFXXOO-FPCVCCKLSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@H]1[C@H](O)CCCN1CC1(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740297 1071152885 /nfs/dbraw/zinc/15/28/85/1071152885.db2.gz XKTYANIDKFXXOO-FPCVCCKLSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CC1(CN2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740297 1071152881 /nfs/dbraw/zinc/15/28/81/1071152881.db2.gz XKTYANIDKFXXOO-FPCVCCKLSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CC1(CN2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740297 1071152875 /nfs/dbraw/zinc/15/28/75/1071152875.db2.gz XKTYANIDKFXXOO-FPCVCCKLSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@@H]1[C@H](O)CCCN1CC1(C[N@H+]2CCC[C@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740397 1071153043 /nfs/dbraw/zinc/15/30/43/1071153043.db2.gz XKTYANIDKFXXOO-FZKCQIBNSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@@H]1[C@H](O)CCCN1CC1(C[N@@H+]2CCC[C@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740397 1071153039 /nfs/dbraw/zinc/15/30/39/1071153039.db2.gz XKTYANIDKFXXOO-FZKCQIBNSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@@H]1[C@@H](O)CCCN1CC1(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740397 1071153037 /nfs/dbraw/zinc/15/30/37/1071153037.db2.gz XKTYANIDKFXXOO-FZKCQIBNSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@@H]1[C@@H](O)CCCN1CC1(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740397 1071153032 /nfs/dbraw/zinc/15/30/32/1071153032.db2.gz XKTYANIDKFXXOO-FZKCQIBNSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@H]1[C@@H](O)CCCN1CC1(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740399 1071153113 /nfs/dbraw/zinc/15/31/13/1071153113.db2.gz XKTYANIDKFXXOO-SYMSYNOKSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@H]1[C@@H](O)CCCN1CC1(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740399 1071153110 /nfs/dbraw/zinc/15/31/10/1071153110.db2.gz XKTYANIDKFXXOO-SYMSYNOKSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CC1(CN2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740399 1071153107 /nfs/dbraw/zinc/15/31/07/1071153107.db2.gz XKTYANIDKFXXOO-SYMSYNOKSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CC1(CN2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740399 1071153104 /nfs/dbraw/zinc/15/31/04/1071153104.db2.gz XKTYANIDKFXXOO-SYMSYNOKSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@@H]1[C@H](O)CCCN1CC1(C[N@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740400 1071152970 /nfs/dbraw/zinc/15/29/70/1071152970.db2.gz XKTYANIDKFXXOO-WCVJEAGWSA-N 1 2 400.472 -1.000 20 0 HAADLO COC(=O)[C@@H]1[C@H](O)CCCN1CC1(C[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)OC)COC1 ZINC000444740400 1071152966 /nfs/dbraw/zinc/15/29/66/1071152966.db2.gz XKTYANIDKFXXOO-WCVJEAGWSA-N 1 2 400.472 -1.000 20 0 HAADLO COCc1noc(CN2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000444742263 1071153020 /nfs/dbraw/zinc/15/30/20/1071153020.db2.gz YXPQFOYHUXMYPB-UHFFFAOYSA-N 1 2 418.458 -1.219 20 0 HAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 ZINC000445154456 1071155454 /nfs/dbraw/zinc/15/54/54/1071155454.db2.gz AQDMZCJBPDQAOY-OAHLLOKOSA-N 1 2 421.502 -0.856 20 0 HAADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445159706 1071155563 /nfs/dbraw/zinc/15/55/63/1071155563.db2.gz ANORPUZUKWXEQL-CQSZACIVSA-N 1 2 420.466 -1.018 20 0 HAADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000445164195 1071155749 /nfs/dbraw/zinc/15/57/49/1071155749.db2.gz WUTUNDARAZQXAH-LLVKDONJSA-N 1 2 404.427 -1.904 20 0 HAADLO C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000445168254 1071155365 /nfs/dbraw/zinc/15/53/65/1071155365.db2.gz VEHJCRACOKQWPQ-OAHLLOKOSA-N 1 2 418.498 -1.067 20 0 HAADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000445198287 1071156318 /nfs/dbraw/zinc/15/63/18/1071156318.db2.gz PEKOPWCOJXQAQQ-DZGCQCFKSA-N 1 2 409.443 -1.321 20 0 HAADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000445198288 1071156420 /nfs/dbraw/zinc/15/64/20/1071156420.db2.gz PEKOPWCOJXQAQQ-HIFRSBDPSA-N 1 2 409.443 -1.321 20 0 HAADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000445198289 1071156373 /nfs/dbraw/zinc/15/63/73/1071156373.db2.gz PEKOPWCOJXQAQQ-UKRRQHHQSA-N 1 2 409.443 -1.321 20 0 HAADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000445198290 1071156397 /nfs/dbraw/zinc/15/63/97/1071156397.db2.gz PEKOPWCOJXQAQQ-ZFWWWQNUSA-N 1 2 409.443 -1.321 20 0 HAADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000445199322 1071157300 /nfs/dbraw/zinc/15/73/00/1071157300.db2.gz XURGUYUTMXGFNW-CABCVRRESA-N 1 2 409.443 -1.321 20 0 HAADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000445199325 1071157182 /nfs/dbraw/zinc/15/71/82/1071157182.db2.gz XURGUYUTMXGFNW-GJZGRUSLSA-N 1 2 409.443 -1.321 20 0 HAADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000445199327 1071157123 /nfs/dbraw/zinc/15/71/23/1071157123.db2.gz XURGUYUTMXGFNW-HUUCEWRRSA-N 1 2 409.443 -1.321 20 0 HAADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000445199328 1071157220 /nfs/dbraw/zinc/15/72/20/1071157220.db2.gz XURGUYUTMXGFNW-LSDHHAIUSA-N 1 2 409.443 -1.321 20 0 HAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445529252 1071158218 /nfs/dbraw/zinc/15/82/18/1071158218.db2.gz TURYZKUXGDVMJS-CYBMUJFWSA-N 1 2 400.505 -1.243 20 0 HAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445529252 1071158209 /nfs/dbraw/zinc/15/82/09/1071158209.db2.gz TURYZKUXGDVMJS-CYBMUJFWSA-N 1 2 400.505 -1.243 20 0 HAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445529255 1071157874 /nfs/dbraw/zinc/15/78/74/1071157874.db2.gz TURYZKUXGDVMJS-ZDUSSCGKSA-N 1 2 400.505 -1.243 20 0 HAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445529255 1071157867 /nfs/dbraw/zinc/15/78/67/1071157867.db2.gz TURYZKUXGDVMJS-ZDUSSCGKSA-N 1 2 400.505 -1.243 20 0 HAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000445832695 1071160599 /nfs/dbraw/zinc/16/05/99/1071160599.db2.gz GMCZQMFVTGDQHT-AWEZNQCLSA-N 1 2 422.515 -1.185 20 0 HAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000445832697 1071160492 /nfs/dbraw/zinc/16/04/92/1071160492.db2.gz GMCZQMFVTGDQHT-CQSZACIVSA-N 1 2 422.515 -1.185 20 0 HAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446060327 1071162860 /nfs/dbraw/zinc/16/28/60/1071162860.db2.gz HVNCMYSMBSCGPD-CYBMUJFWSA-N 1 2 411.488 -0.746 20 0 HAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446060330 1071162962 /nfs/dbraw/zinc/16/29/62/1071162962.db2.gz HVNCMYSMBSCGPD-ZDUSSCGKSA-N 1 2 411.488 -0.746 20 0 HAADLO Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000446521657 1071166359 /nfs/dbraw/zinc/16/63/59/1071166359.db2.gz MQMHPOJCRAVVJN-UHFFFAOYSA-N 1 2 410.500 -1.035 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000446773402 1071633293 /nfs/dbraw/zinc/63/32/93/1071633293.db2.gz CEVDKLKPKSUQIL-UHFFFAOYSA-N 1 2 416.486 -0.779 20 0 HAADLO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000446793888 1071169429 /nfs/dbraw/zinc/16/94/29/1071169429.db2.gz HCNQDNBCEQMIAE-HNNXBMFYSA-N 1 2 409.443 -1.056 20 0 HAADLO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000446793904 1071169558 /nfs/dbraw/zinc/16/95/58/1071169558.db2.gz HCNQDNBCEQMIAE-OAHLLOKOSA-N 1 2 409.443 -1.056 20 0 HAADLO CC1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCS1(=O)=O ZINC000446795960 1071629804 /nfs/dbraw/zinc/62/98/04/1071629804.db2.gz POLAXKSLDMDKGS-UHFFFAOYSA-N 1 2 413.500 -0.811 20 0 HAADLO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000446797182 1071629774 /nfs/dbraw/zinc/62/97/74/1071629774.db2.gz WCLRXGOSHWFFNN-AWEZNQCLSA-N 1 2 409.443 -1.056 20 0 HAADLO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000446797183 1071629762 /nfs/dbraw/zinc/62/97/62/1071629762.db2.gz WCLRXGOSHWFFNN-CQSZACIVSA-N 1 2 409.443 -1.056 20 0 HAADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000446810966 1071624908 /nfs/dbraw/zinc/62/49/08/1071624908.db2.gz UKSGGCNOAPZEFA-ILXRZTDVSA-N 1 2 404.471 -0.721 20 0 HAADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000446810967 1071625782 /nfs/dbraw/zinc/62/57/82/1071625782.db2.gz UKSGGCNOAPZEFA-KFWWJZLASA-N 1 2 404.471 -0.721 20 0 HAADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000446810968 1071625696 /nfs/dbraw/zinc/62/56/96/1071625696.db2.gz UKSGGCNOAPZEFA-QLFBSQMISA-N 1 2 404.471 -0.721 20 0 HAADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000446810969 1071169591 /nfs/dbraw/zinc/16/95/91/1071169591.db2.gz UKSGGCNOAPZEFA-RBSFLKMASA-N 1 2 404.471 -0.721 20 0 HAADLO CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC000446815405 1071170365 /nfs/dbraw/zinc/17/03/65/1071170365.db2.gz UHMWIEDNJQRXEB-AWEZNQCLSA-N 1 2 406.443 -1.194 20 0 HAADLO CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC000446815406 1071170226 /nfs/dbraw/zinc/17/02/26/1071170226.db2.gz UHMWIEDNJQRXEB-CQSZACIVSA-N 1 2 406.443 -1.194 20 0 HAADLO CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1=O ZINC000446820827 1071627909 /nfs/dbraw/zinc/62/79/09/1071627909.db2.gz HXLOWFIONCOODO-CYBMUJFWSA-N 1 2 406.443 -1.194 20 0 HAADLO CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1=O ZINC000446820828 1071170200 /nfs/dbraw/zinc/17/02/00/1071170200.db2.gz HXLOWFIONCOODO-ZDUSSCGKSA-N 1 2 406.443 -1.194 20 0 HAADLO Cc1oc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000446919994 1071172120 /nfs/dbraw/zinc/17/21/20/1071172120.db2.gz KCKWPIXFHAJICH-GFCCVEGCSA-N 1 2 400.457 -1.102 20 0 HAADLO Cc1oc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000446919997 1071171829 /nfs/dbraw/zinc/17/18/29/1071171829.db2.gz KCKWPIXFHAJICH-LBPRGKRZSA-N 1 2 400.457 -1.102 20 0 HAADLO CCS(=O)(=O)NCCS(=O)(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000447201005 1071175486 /nfs/dbraw/zinc/17/54/86/1071175486.db2.gz ROBNTPYPJZFCOZ-UHFFFAOYSA-N 1 2 422.533 -1.662 20 0 HAADLO CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000447204723 1071175335 /nfs/dbraw/zinc/17/53/35/1071175335.db2.gz VGCYDXKCMLXUMY-UHFFFAOYSA-N 1 2 417.517 -1.246 20 0 HAADLO COCCC(=O)N1CCN(CC(O)C[NH+]2CCN(C(=O)CCOC)CC2)CC1 ZINC000447267310 1071175467 /nfs/dbraw/zinc/17/54/67/1071175467.db2.gz NYBNORMPMAAVNL-UHFFFAOYSA-N 1 2 400.520 -1.291 20 0 HAADLO C[C@H]1CN(CC(O)C[N@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000447310095 1071175283 /nfs/dbraw/zinc/17/52/83/1071175283.db2.gz UTUJAIVCZUTHEH-KBPBESRZSA-N 1 2 412.578 -1.721 20 0 HAADLO C[C@H]1CN(CC(O)C[N@@H+]2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000447310095 1071175270 /nfs/dbraw/zinc/17/52/70/1071175270.db2.gz UTUJAIVCZUTHEH-KBPBESRZSA-N 1 2 412.578 -1.721 20 0 HAADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000447913244 1071183146 /nfs/dbraw/zinc/18/31/46/1071183146.db2.gz IGKHZUCSDUSZCQ-CYBMUJFWSA-N 1 2 416.442 -2.015 20 0 HAADLO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000447913245 1071183119 /nfs/dbraw/zinc/18/31/19/1071183119.db2.gz IGKHZUCSDUSZCQ-ZDUSSCGKSA-N 1 2 416.442 -2.015 20 0 HAADLO CCC(=O)N1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000448330608 1071188320 /nfs/dbraw/zinc/18/83/20/1071188320.db2.gz DPPDMDZJBIZLMT-HNNXBMFYSA-N 1 2 401.533 -1.119 20 0 HAADLO CCC(=O)N1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000448330609 1070896374 /nfs/dbraw/zinc/89/63/74/1070896374.db2.gz DPPDMDZJBIZLMT-OAHLLOKOSA-N 1 2 401.533 -1.119 20 0 HAADLO CCNC(=O)C(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448341656 1071188401 /nfs/dbraw/zinc/18/84/01/1071188401.db2.gz LXZBAFXVSTXIIA-UHFFFAOYSA-N 1 2 418.564 -1.032 20 0 HAADLO CNC(=O)C(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448346935 1071188228 /nfs/dbraw/zinc/18/82/28/1071188228.db2.gz SYALMBQNYCVUAV-UHFFFAOYSA-N 1 2 404.537 -1.422 20 0 HAADLO CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448477739 1071189173 /nfs/dbraw/zinc/18/91/73/1071189173.db2.gz KMATVJRJRMXNKX-UHFFFAOYSA-N 1 2 414.488 -1.742 20 0 HAADLO CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448481691 1071190082 /nfs/dbraw/zinc/19/00/82/1071190082.db2.gz PGJJGZJPJWFIEV-UHFFFAOYSA-N 1 2 414.488 -1.742 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000448488540 1071633219 /nfs/dbraw/zinc/63/32/19/1071633219.db2.gz BVUTUXQPGUTDFS-UHFFFAOYSA-N 1 2 414.470 -0.707 20 0 HAADLO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448494102 1071634442 /nfs/dbraw/zinc/63/44/42/1071634442.db2.gz BBRAYDGTDGRVSU-UHFFFAOYSA-N 1 2 421.502 -1.566 20 0 HAADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)CC1 ZINC000448494926 1071189240 /nfs/dbraw/zinc/18/92/40/1071189240.db2.gz HSOVUQIMTNXZMT-UHFFFAOYSA-N 1 2 421.502 -1.030 20 0 HAADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)CC1 ZINC000448494926 1071189231 /nfs/dbraw/zinc/18/92/31/1071189231.db2.gz HSOVUQIMTNXZMT-UHFFFAOYSA-N 1 2 421.502 -1.030 20 0 HAADLO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448498282 1071189965 /nfs/dbraw/zinc/18/99/65/1071189965.db2.gz ZJRWLEGJADKVSI-UHFFFAOYSA-N 1 2 421.502 -1.566 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000448499233 1071190072 /nfs/dbraw/zinc/19/00/72/1071190072.db2.gz ODNMCJQBCWJVBQ-UHFFFAOYSA-N 1 2 414.470 -0.707 20 0 HAADLO CCn1nccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000448503220 1071190056 /nfs/dbraw/zinc/19/00/56/1071190056.db2.gz BNEHRWUOPHGHBF-UHFFFAOYSA-N 1 2 413.504 -1.522 20 0 HAADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448505720 1071189994 /nfs/dbraw/zinc/18/99/94/1071189994.db2.gz YECSUPRLXBKYHO-UHFFFAOYSA-N 1 2 408.459 -1.529 20 0 HAADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448505721 1071632145 /nfs/dbraw/zinc/63/21/45/1071632145.db2.gz YEWITMLNQJCEIL-UHFFFAOYSA-N 1 2 408.459 -1.529 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448519986 1071191184 /nfs/dbraw/zinc/19/11/84/1071191184.db2.gz HCWNSGFEEJJWTB-AWEZNQCLSA-N 1 2 401.489 -1.306 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448519987 1071191098 /nfs/dbraw/zinc/19/10/98/1071191098.db2.gz HCWNSGFEEJJWTB-CQSZACIVSA-N 1 2 401.489 -1.306 20 0 HAADLO CC(C)(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000448539686 1071189935 /nfs/dbraw/zinc/18/99/35/1071189935.db2.gz WAVKBVBCZSBBKJ-UHFFFAOYSA-N 1 2 408.503 -0.619 20 0 HAADLO CO[C@]1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOC1 ZINC000460992464 1071262703 /nfs/dbraw/zinc/26/27/03/1071262703.db2.gz WXHOCHVJFPGTDV-INIZCTEOSA-N 1 2 405.521 -1.389 20 0 HAADLO CO[C@@]1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOC1 ZINC000460992465 1071262494 /nfs/dbraw/zinc/26/24/94/1071262494.db2.gz WXHOCHVJFPGTDV-MRXNPFEDSA-N 1 2 405.521 -1.389 20 0 HAADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000461540976 1071267601 /nfs/dbraw/zinc/26/76/01/1071267601.db2.gz NAZHJOMRLCGYAT-CVEARBPZSA-N 1 2 421.564 -1.018 20 0 HAADLO CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000461540977 1071267472 /nfs/dbraw/zinc/26/74/72/1071267472.db2.gz NAZHJOMRLCGYAT-HOTGVXAUSA-N 1 2 421.564 -1.018 20 0 HAADLO CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000461540978 1071267645 /nfs/dbraw/zinc/26/76/45/1071267645.db2.gz NAZHJOMRLCGYAT-HZPDHXFCSA-N 1 2 421.564 -1.018 20 0 HAADLO 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Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472155107 1070850641 /nfs/dbraw/zinc/85/06/41/1070850641.db2.gz LFVKVGIBEXMWJR-OXJNMPFZSA-N 1 2 406.483 -1.043 20 0 HAADLO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472155109 1070851071 /nfs/dbraw/zinc/85/10/71/1070851071.db2.gz LFVKVGIBEXMWJR-OXQOHEQNSA-N 1 2 406.483 -1.043 20 0 HAADLO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000472155111 1070851453 /nfs/dbraw/zinc/85/14/53/1070851453.db2.gz LFVKVGIBEXMWJR-UZLBHIALSA-N 1 2 406.483 -1.043 20 0 HAADLO Cn1cc([C@H]2[C@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)OCC(=O)N2C)cn1 ZINC000472212715 1070855371 /nfs/dbraw/zinc/85/53/71/1070855371.db2.gz XTGLTTGLGHALEW-DLBZAZTESA-N 1 2 402.459 -1.246 20 0 HAADLO COC(=O)[C@@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000472288149 1070867300 /nfs/dbraw/zinc/86/73/00/1070867300.db2.gz UOBBWHMELAWLJO-AWEZNQCLSA-N 1 2 403.443 -1.114 20 0 HAADLO COC(=O)[C@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000472288150 1070867373 /nfs/dbraw/zinc/86/73/73/1070867373.db2.gz UOBBWHMELAWLJO-CQSZACIVSA-N 1 2 403.443 -1.114 20 0 HAADLO CC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000472505925 1070897079 /nfs/dbraw/zinc/89/70/79/1070897079.db2.gz VGLCYDUZWVWGIK-HNNXBMFYSA-N 1 2 402.521 -1.573 20 0 HAADLO CC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000472505931 1070897018 /nfs/dbraw/zinc/89/70/18/1070897018.db2.gz VGLCYDUZWVWGIK-OAHLLOKOSA-N 1 2 402.521 -1.573 20 0 HAADLO CCn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472665223 1070903912 /nfs/dbraw/zinc/90/39/12/1070903912.db2.gz IDDLGJYZNZRXNE-UHFFFAOYSA-N 1 2 406.534 -1.299 20 0 HAADLO NC(=O)[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000472766918 1070905471 /nfs/dbraw/zinc/90/54/71/1070905471.db2.gz UIDRGRPFXZEKJD-KRWDZBQOSA-N 1 2 412.468 -1.432 20 0 HAADLO NC(=O)[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000472766918 1070905469 /nfs/dbraw/zinc/90/54/69/1070905469.db2.gz UIDRGRPFXZEKJD-KRWDZBQOSA-N 1 2 412.468 -1.432 20 0 HAADLO NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000472766924 1070905427 /nfs/dbraw/zinc/90/54/27/1070905427.db2.gz UIDRGRPFXZEKJD-QGZVFWFLSA-N 1 2 412.468 -1.432 20 0 HAADLO NC(=O)[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000472766924 1070905419 /nfs/dbraw/zinc/90/54/19/1070905419.db2.gz UIDRGRPFXZEKJD-QGZVFWFLSA-N 1 2 412.468 -1.432 20 0 HAADLO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472772654 1070906092 /nfs/dbraw/zinc/90/60/92/1070906092.db2.gz ODODPCTZVNJNCB-FQEVSTJZSA-N 1 2 415.450 -1.235 20 0 HAADLO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472772654 1070906080 /nfs/dbraw/zinc/90/60/80/1070906080.db2.gz ODODPCTZVNJNCB-FQEVSTJZSA-N 1 2 415.450 -1.235 20 0 HAADLO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472772657 1070906189 /nfs/dbraw/zinc/90/61/89/1070906189.db2.gz ODODPCTZVNJNCB-HXUWFJFHSA-N 1 2 415.450 -1.235 20 0 HAADLO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472772657 1070906182 /nfs/dbraw/zinc/90/61/82/1070906182.db2.gz ODODPCTZVNJNCB-HXUWFJFHSA-N 1 2 415.450 -1.235 20 0 HAADLO COC(=O)[C@H]1C[C@H](O)CN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000473187047 1070925919 /nfs/dbraw/zinc/92/59/19/1070925919.db2.gz CEWZLCKOZBEQPA-GXTWGEPZSA-N 1 2 403.443 -1.380 20 0 HAADLO COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000473187056 1070925939 /nfs/dbraw/zinc/92/59/39/1070925939.db2.gz CEWZLCKOZBEQPA-JSGCOSHPSA-N 1 2 403.443 -1.380 20 0 HAADLO COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000473187058 1070926003 /nfs/dbraw/zinc/92/60/03/1070926003.db2.gz CEWZLCKOZBEQPA-OCCSQVGLSA-N 1 2 403.443 -1.380 20 0 HAADLO COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000473187060 1070925988 /nfs/dbraw/zinc/92/59/88/1070925988.db2.gz CEWZLCKOZBEQPA-TZMCWYRMSA-N 1 2 403.443 -1.380 20 0 HAADLO CN(C)C(=O)CCN1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000473210416 1070929758 /nfs/dbraw/zinc/92/97/58/1070929758.db2.gz UKRFWGAJXPAJHN-UHFFFAOYSA-N 1 2 405.503 -1.080 20 0 HAADLO COc1c(=O)[nH]c(=O)[nH]c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473257836 1070945052 /nfs/dbraw/zinc/94/50/52/1070945052.db2.gz WVLANQRNZXBZEO-UHFFFAOYSA-N 1 2 416.460 -1.854 20 0 HAADLO CCN(C)C(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473923627 1071067892 /nfs/dbraw/zinc/06/78/92/1071067892.db2.gz PTCIDIKTXDUSFG-AWEZNQCLSA-N 1 2 404.537 -1.327 20 0 HAADLO CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000473923629 1071068696 /nfs/dbraw/zinc/06/86/96/1071068696.db2.gz PTCIDIKTXDUSFG-CQSZACIVSA-N 1 2 404.537 -1.327 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ncnn1C ZINC000473933864 1071068615 /nfs/dbraw/zinc/06/86/15/1071068615.db2.gz UUAXXPZNDKIIND-CYBMUJFWSA-N 1 2 400.509 -1.305 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ncnn1C ZINC000473933865 1071068489 /nfs/dbraw/zinc/06/84/89/1071068489.db2.gz UUAXXPZNDKIIND-ZDUSSCGKSA-N 1 2 400.509 -1.305 20 0 HAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@H](OCC[NH+]3CCOCC3)C1)c(=O)n2C ZINC000473991268 1071072184 /nfs/dbraw/zinc/07/21/84/1071072184.db2.gz YRLXIZMXQRTYSS-AWEZNQCLSA-N 1 2 420.470 -1.617 20 0 HAADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H](OCC[NH+]3CCOCC3)C1)c(=O)n2C ZINC000473991269 1071072019 /nfs/dbraw/zinc/07/20/19/1071072019.db2.gz YRLXIZMXQRTYSS-CQSZACIVSA-N 1 2 420.470 -1.617 20 0 HAADLO COC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474048156 1071114435 /nfs/dbraw/zinc/11/44/35/1071114435.db2.gz YXTVIJMESRSZRF-AWEZNQCLSA-N 1 2 401.489 -1.160 20 0 HAADLO COC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000474048157 1071114526 /nfs/dbraw/zinc/11/45/26/1071114526.db2.gz YXTVIJMESRSZRF-CQSZACIVSA-N 1 2 401.489 -1.160 20 0 HAADLO CCn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000474067230 1071115216 /nfs/dbraw/zinc/11/52/16/1071115216.db2.gz PKPJXMWNNKUYSF-UHFFFAOYSA-N 1 2 406.534 -1.299 20 0 HAADLO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000474143737 1071123582 /nfs/dbraw/zinc/12/35/82/1071123582.db2.gz XUXRYZPVVQWHHH-AWEZNQCLSA-N 1 2 411.484 -1.347 20 0 HAADLO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000474143738 1071123523 /nfs/dbraw/zinc/12/35/23/1071123523.db2.gz XUXRYZPVVQWHHH-CQSZACIVSA-N 1 2 411.484 -1.347 20 0 HAADLO COC(=O)c1cn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000474470725 1071125173 /nfs/dbraw/zinc/12/51/73/1071125173.db2.gz AXXYRCRJKFWSMQ-UHFFFAOYSA-N 1 2 415.476 -2.299 20 0 HAADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000474514489 1071126122 /nfs/dbraw/zinc/12/61/22/1071126122.db2.gz QMOLGJNPHIVWNK-HNNXBMFYSA-N 1 2 409.512 -1.217 20 0 HAADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000474514490 1071126108 /nfs/dbraw/zinc/12/61/08/1071126108.db2.gz QMOLGJNPHIVWNK-OAHLLOKOSA-N 1 2 409.512 -1.217 20 0 HAADLO C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000474622373 1071126357 /nfs/dbraw/zinc/12/63/57/1071126357.db2.gz LMXGNHXRFNJFPD-HNNXBMFYSA-N 1 2 401.533 -1.119 20 0 HAADLO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000474622381 1071126919 /nfs/dbraw/zinc/12/69/19/1071126919.db2.gz LMXGNHXRFNJFPD-OAHLLOKOSA-N 1 2 401.533 -1.119 20 0 HAADLO COCc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(N)n1 ZINC000474622964 1071639281 /nfs/dbraw/zinc/63/92/81/1071639281.db2.gz MYOLBQUXPGAVGY-UHFFFAOYSA-N 1 2 413.504 -1.545 20 0 HAADLO CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000474624977 1071127175 /nfs/dbraw/zinc/12/71/75/1071127175.db2.gz WGJBQKGFRGBZDQ-UHFFFAOYSA-N 1 2 401.533 -1.119 20 0 HAADLO CCC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000474832591 1071129048 /nfs/dbraw/zinc/12/90/48/1071129048.db2.gz ONNLIMJVIQPGGB-HNNXBMFYSA-N 1 2 416.548 -1.183 20 0 HAADLO CCC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000474832592 1071128724 /nfs/dbraw/zinc/12/87/24/1071128724.db2.gz ONNLIMJVIQPGGB-OAHLLOKOSA-N 1 2 416.548 -1.183 20 0 HAADLO CCn1ncnc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000475315000 1071142345 /nfs/dbraw/zinc/14/23/45/1071142345.db2.gz WGBHLKHKTLTANT-UHFFFAOYSA-N 1 2 400.509 -1.383 20 0 HAADLO CS(=O)(=O)N1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)[nH+]cn2)CC1 ZINC000475358370 1071142305 /nfs/dbraw/zinc/14/23/05/1071142305.db2.gz MYILTPVLMFCDHT-UHFFFAOYSA-N 1 2 404.518 -1.360 20 0 HAADLO Cn1cc(N2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)cn1 ZINC000475363016 1071587786 /nfs/dbraw/zinc/58/77/86/1071587786.db2.gz QGOFUGRMINXMTK-UHFFFAOYSA-N 1 2 419.530 -1.455 20 0 HAADLO COCCC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000475413409 1071143457 /nfs/dbraw/zinc/14/34/57/1071143457.db2.gz RDURXWLOKXBTOB-UHFFFAOYSA-N 1 2 422.486 -1.139 20 0 HAADLO COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000475435572 1071143426 /nfs/dbraw/zinc/14/34/26/1071143426.db2.gz UORSHEYQQNCLNG-UHFFFAOYSA-N 1 2 422.486 -1.139 20 0 HAADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475677135 1071195309 /nfs/dbraw/zinc/19/53/09/1071195309.db2.gz DQRMOIWETCYHCT-UHFFFAOYSA-N 1 2 422.486 -1.139 20 0 HAADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475709566 1071200866 /nfs/dbraw/zinc/20/08/66/1071200866.db2.gz LVAIVZFYKPJGOY-UHFFFAOYSA-N 1 2 408.459 -1.529 20 0 HAADLO COCCCS(=O)(=O)NCCN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000475866566 1071206329 /nfs/dbraw/zinc/20/63/29/1071206329.db2.gz NNQJPGOADWSMCM-INIZCTEOSA-N 1 2 406.549 -1.193 20 0 HAADLO COCCCS(=O)(=O)NCCN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000475866577 1071206574 /nfs/dbraw/zinc/20/65/74/1071206574.db2.gz NNQJPGOADWSMCM-MRXNPFEDSA-N 1 2 406.549 -1.193 20 0 HAADLO Cc1nc(NCCN2CCCS2(=O)=O)nc(NCCN2CCCS2(=O)=O)[nH+]1 ZINC000476114625 1071228129 /nfs/dbraw/zinc/22/81/29/1071228129.db2.gz WFZSGFCLRWUGSE-UHFFFAOYSA-N 1 2 419.533 -2.081 20 0 HAADLO O=C(CCSCCC(=O)N1CC[NH+](CCO)CC1)N1CCN(CCO)CC1 ZINC000476485043 1071234793 /nfs/dbraw/zinc/23/47/93/1071234793.db2.gz HZRYFKCAEVYYQB-UHFFFAOYSA-N 1 2 402.561 -1.227 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477371601 1071254452 /nfs/dbraw/zinc/25/44/52/1071254452.db2.gz BBPPNPCXPGJPHO-KBXCAEBGSA-N 1 2 412.487 -1.247 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477371602 1071254413 /nfs/dbraw/zinc/25/44/13/1071254413.db2.gz BBPPNPCXPGJPHO-KDOFPFPSSA-N 1 2 412.487 -1.247 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477371603 1071254387 /nfs/dbraw/zinc/25/43/87/1071254387.db2.gz BBPPNPCXPGJPHO-KSSFIOAISA-N 1 2 412.487 -1.247 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477371604 1071254426 /nfs/dbraw/zinc/25/44/26/1071254426.db2.gz BBPPNPCXPGJPHO-RDTXWAMCSA-N 1 2 412.487 -1.247 20 0 HAADLO CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477465852 1071255358 /nfs/dbraw/zinc/25/53/58/1071255358.db2.gz VUCUHYFYCDRDAL-HNNXBMFYSA-N 1 2 420.532 -1.620 20 0 HAADLO CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000477465857 1071255327 /nfs/dbraw/zinc/25/53/27/1071255327.db2.gz VUCUHYFYCDRDAL-OAHLLOKOSA-N 1 2 420.532 -1.620 20 0 HAADLO COC(=O)C1CCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)CC1 ZINC000477470593 1071255146 /nfs/dbraw/zinc/25/51/46/1071255146.db2.gz UISJXLVJCWXTSF-UHFFFAOYSA-N 1 2 424.454 -1.089 20 0 HAADLO Cn1nncc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000477502964 1071255794 /nfs/dbraw/zinc/25/57/94/1071255794.db2.gz IXQXFZKLBHVONL-UHFFFAOYSA-N 1 2 415.501 -1.360 20 0 HAADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NCC(=O)N1CCCC1 ZINC000477628284 1071258253 /nfs/dbraw/zinc/25/82/53/1071258253.db2.gz NSDPGOCXFXJRQA-UHFFFAOYSA-N 1 2 409.443 -1.762 20 0 HAADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NC(=O)NCC(F)(F)F ZINC000477628327 1071258337 /nfs/dbraw/zinc/25/83/37/1071258337.db2.gz NXSKSRDAIZMCNW-UHFFFAOYSA-N 1 2 423.348 -1.112 20 0 HAADLO O=C(Cn1cccnc1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478695971 1071286213 /nfs/dbraw/zinc/28/62/13/1071286213.db2.gz ADHPXQCOABOSDP-UHFFFAOYSA-N 1 2 406.468 -1.094 20 0 HAADLO CN(CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000478700449 1071286977 /nfs/dbraw/zinc/28/69/77/1071286977.db2.gz KALMMPBKGLFQFN-UHFFFAOYSA-N 1 2 419.529 -1.459 20 0 HAADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000478925796 1071290615 /nfs/dbraw/zinc/29/06/15/1071290615.db2.gz DJQHGTGRJQTJNE-AWEZNQCLSA-N 1 2 401.489 -1.352 20 0 HAADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1 ZINC000478925800 1071290643 /nfs/dbraw/zinc/29/06/43/1071290643.db2.gz DJQHGTGRJQTJNE-CQSZACIVSA-N 1 2 401.489 -1.352 20 0 HAADLO Cn1c2ncn(CC(=O)N3CC[C@H](OCC[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000478947826 1071290421 /nfs/dbraw/zinc/29/04/21/1071290421.db2.gz FCLGWROCIVDGDY-AWEZNQCLSA-N 1 2 420.470 -1.617 20 0 HAADLO Cn1c2ncn(CC(=O)N3CC[C@@H](OCC[NH+]4CCOCC4)C3)c2c(=O)n(C)c1=O ZINC000478947831 1071290489 /nfs/dbraw/zinc/29/04/89/1071290489.db2.gz FCLGWROCIVDGDY-CQSZACIVSA-N 1 2 420.470 -1.617 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cn1C ZINC000478949742 1071290554 /nfs/dbraw/zinc/29/05/54/1071290554.db2.gz AUAFMQKOFAQQIF-HNNXBMFYSA-N 1 2 415.516 -1.043 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cn1C ZINC000478949745 1071290823 /nfs/dbraw/zinc/29/08/23/1071290823.db2.gz AUAFMQKOFAQQIF-OAHLLOKOSA-N 1 2 415.516 -1.043 20 0 HAADLO Cn1c2c(ccn2CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000479017357 1071292070 /nfs/dbraw/zinc/29/20/70/1071292070.db2.gz ODGIGUQUIBOTCA-HNNXBMFYSA-N 1 2 419.482 -1.012 20 0 HAADLO Cn1c2c(ccn2CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000479017366 1071292021 /nfs/dbraw/zinc/29/20/21/1071292021.db2.gz ODGIGUQUIBOTCA-OAHLLOKOSA-N 1 2 419.482 -1.012 20 0 HAADLO CS(=O)(=O)N1CCN(CC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CC1 ZINC000479021860 1071292280 /nfs/dbraw/zinc/29/22/80/1071292280.db2.gz SPJXSCSOMRRMJZ-INIZCTEOSA-N 1 2 404.533 -1.487 20 0 HAADLO CS(=O)(=O)N1CCN(CC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CC1 ZINC000479021863 1071292216 /nfs/dbraw/zinc/29/22/16/1071292216.db2.gz SPJXSCSOMRRMJZ-MRXNPFEDSA-N 1 2 404.533 -1.487 20 0 HAADLO Cc1nc(NCCC(=O)N2CCOCC2)nc(NCCC(=O)N2CCOCC2)[nH+]1 ZINC000479829774 1071303835 /nfs/dbraw/zinc/30/38/35/1071303835.db2.gz PFJMTYDKNHBVAK-UHFFFAOYSA-N 1 2 407.475 -1.655 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479965176 1071307225 /nfs/dbraw/zinc/30/72/25/1071307225.db2.gz NOIXTLGDIQTQGJ-CVEARBPZSA-N 1 2 418.498 -1.318 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479965192 1071307117 /nfs/dbraw/zinc/30/71/17/1071307117.db2.gz NOIXTLGDIQTQGJ-HOTGVXAUSA-N 1 2 418.498 -1.318 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479965197 1071307144 /nfs/dbraw/zinc/30/71/44/1071307144.db2.gz NOIXTLGDIQTQGJ-HZPDHXFCSA-N 1 2 418.498 -1.318 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479965201 1071307172 /nfs/dbraw/zinc/30/71/72/1071307172.db2.gz NOIXTLGDIQTQGJ-JKSUJKDBSA-N 1 2 418.498 -1.318 20 0 HAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000479967255 1071306927 /nfs/dbraw/zinc/30/69/27/1071306927.db2.gz OMHPCDPFJIZYHO-CABCVRRESA-N 1 2 404.471 -1.579 20 0 HAADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000479967257 1071306838 /nfs/dbraw/zinc/30/68/38/1071306838.db2.gz OMHPCDPFJIZYHO-GJZGRUSLSA-N 1 2 404.471 -1.579 20 0 HAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000479967258 1071307272 /nfs/dbraw/zinc/30/72/72/1071307272.db2.gz OMHPCDPFJIZYHO-HUUCEWRRSA-N 1 2 404.471 -1.579 20 0 HAADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000479967260 1071306873 /nfs/dbraw/zinc/30/68/73/1071306873.db2.gz OMHPCDPFJIZYHO-LSDHHAIUSA-N 1 2 404.471 -1.579 20 0 HAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000479971115 1071307086 /nfs/dbraw/zinc/30/70/86/1071307086.db2.gz SCWRYXQIUAPYPA-CABCVRRESA-N 1 2 424.527 -1.402 20 0 HAADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000479971117 1071306965 /nfs/dbraw/zinc/30/69/65/1071306965.db2.gz SCWRYXQIUAPYPA-GJZGRUSLSA-N 1 2 424.527 -1.402 20 0 HAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000479971119 1071307301 /nfs/dbraw/zinc/30/73/01/1071307301.db2.gz SCWRYXQIUAPYPA-HUUCEWRRSA-N 1 2 424.527 -1.402 20 0 HAADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000479971121 1071307026 /nfs/dbraw/zinc/30/70/26/1071307026.db2.gz SCWRYXQIUAPYPA-LSDHHAIUSA-N 1 2 424.527 -1.402 20 0 HAADLO Cc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000480480306 1071311845 /nfs/dbraw/zinc/31/18/45/1071311845.db2.gz KMHABOLJXOACEN-IBGZPJMESA-N 1 2 405.455 -1.246 20 0 HAADLO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000480480310 1071312718 /nfs/dbraw/zinc/31/27/18/1071312718.db2.gz KMHABOLJXOACEN-LJQANCHMSA-N 1 2 405.455 -1.246 20 0 HAADLO CN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1COC[C@H]1O ZINC000480549954 1071313202 /nfs/dbraw/zinc/31/32/02/1071313202.db2.gz WCSQTKWHMIVUGT-HUUCEWRRSA-N 1 2 413.500 -1.066 20 0 HAADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCOCCS(N)(=O)=O)ccn2)CC1 ZINC000480728041 1071315478 /nfs/dbraw/zinc/31/54/78/1071315478.db2.gz CWLCOTUZPWDECE-UHFFFAOYSA-N 1 2 414.488 -1.104 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000480756128 1071629938 /nfs/dbraw/zinc/62/99/38/1071629938.db2.gz JDENDKGWSRRCDG-UHFFFAOYSA-N 1 2 418.462 -1.422 20 0 HAADLO COCCNc1nc(N2CC[C@@](C)(C(N)=O)C2)[nH+]c(N2CC[C@@](C)(C(N)=O)C2)n1 ZINC000481068368 1071318314 /nfs/dbraw/zinc/31/83/14/1071318314.db2.gz GCXDDPDTVLVBFG-QZTJIDSGSA-N 1 2 406.491 -1.245 20 0 HAADLO COCCNc1nc(N2CC[C@](C)(C(N)=O)C2)[nH+]c(N2CC[C@](C)(C(N)=O)C2)n1 ZINC000481068369 1071318184 /nfs/dbraw/zinc/31/81/84/1071318184.db2.gz GCXDDPDTVLVBFG-ROUUACIJSA-N 1 2 406.491 -1.245 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000481245812 1071319063 /nfs/dbraw/zinc/31/90/63/1071319063.db2.gz IYMXRCFPNVOECB-UHFFFAOYSA-N 1 2 418.462 -1.422 20 0 HAADLO CCn1cncc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000481431715 1071320728 /nfs/dbraw/zinc/32/07/28/1071320728.db2.gz CHUFKEDWRGQPRZ-UHFFFAOYSA-N 1 2 406.534 -1.299 20 0 HAADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000481476216 1071321825 /nfs/dbraw/zinc/32/18/25/1071321825.db2.gz DTSFPBJKDYRANV-UHFFFAOYSA-N 1 2 411.503 -1.190 20 0 HAADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000481476216 1071321815 /nfs/dbraw/zinc/32/18/15/1071321815.db2.gz DTSFPBJKDYRANV-UHFFFAOYSA-N 1 2 411.503 -1.190 20 0 HAADLO NS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000481540295 1071323120 /nfs/dbraw/zinc/32/31/20/1071323120.db2.gz JTALBWBIFJVOHO-UHFFFAOYSA-N 1 2 410.500 -1.142 20 0 HAADLO CC(C)[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000481872332 1071330352 /nfs/dbraw/zinc/33/03/52/1071330352.db2.gz WCHUZJJKDUTTCD-HNNXBMFYSA-N 1 2 411.594 -1.330 20 0 HAADLO CC(C)[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000481872342 1071330267 /nfs/dbraw/zinc/33/02/67/1071330267.db2.gz WCHUZJJKDUTTCD-OAHLLOKOSA-N 1 2 411.594 -1.330 20 0 HAADLO COC(=O)COCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000482160326 1071331188 /nfs/dbraw/zinc/33/11/88/1071331188.db2.gz SZQONKXAKSEMNA-UHFFFAOYSA-N 1 2 400.457 -1.161 20 0 HAADLO NC(=O)[C@@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000482235439 1071331785 /nfs/dbraw/zinc/33/17/85/1071331785.db2.gz CYOHLJQGMVGCAK-KBPBESRZSA-N 1 2 411.484 -1.318 20 0 HAADLO NC(=O)[C@H]1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000482235443 1071331654 /nfs/dbraw/zinc/33/16/54/1071331654.db2.gz CYOHLJQGMVGCAK-KGLIPLIRSA-N 1 2 411.484 -1.318 20 0 HAADLO NC(=O)[C@@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000482235445 1071331506 /nfs/dbraw/zinc/33/15/06/1071331506.db2.gz CYOHLJQGMVGCAK-UONOGXRCSA-N 1 2 411.484 -1.318 20 0 HAADLO NC(=O)[C@H]1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000482235447 1071331703 /nfs/dbraw/zinc/33/17/03/1071331703.db2.gz CYOHLJQGMVGCAK-ZIAGYGMSSA-N 1 2 411.484 -1.318 20 0 HAADLO C[C@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[S@@](C)=O ZINC000482934020 1071334510 /nfs/dbraw/zinc/33/45/10/1071334510.db2.gz DBHBROACAYFNMF-DLUDVSRJSA-N 1 2 409.578 -1.037 20 0 HAADLO C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[S@@](C)=O ZINC000482934021 1071334629 /nfs/dbraw/zinc/33/46/29/1071334629.db2.gz DBHBROACAYFNMF-HWRSSNJWSA-N 1 2 409.578 -1.037 20 0 HAADLO C[C@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[S@](C)=O ZINC000482934022 1071334491 /nfs/dbraw/zinc/33/44/91/1071334491.db2.gz DBHBROACAYFNMF-PWECECGKSA-N 1 2 409.578 -1.037 20 0 HAADLO C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[S@](C)=O ZINC000482934023 1071334666 /nfs/dbraw/zinc/33/46/66/1071334666.db2.gz DBHBROACAYFNMF-SXBQZSJRSA-N 1 2 409.578 -1.037 20 0 HAADLO COC(=O)[C@]12C[N@@H+](CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483073007 1072086125 /nfs/dbraw/zinc/08/61/25/1072086125.db2.gz LHLUKZSAMWJSOT-HWWQOWPSSA-N 1 2 403.457 -1.489 20 0 HAADLO COC(=O)[C@]12C[N@H+](CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)C[C@H]1COCC2 ZINC000483073007 1072086113 /nfs/dbraw/zinc/08/61/13/1072086113.db2.gz LHLUKZSAMWJSOT-HWWQOWPSSA-N 1 2 403.457 -1.489 20 0 HAADLO 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COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000487072787 1071354513 /nfs/dbraw/zinc/35/45/13/1071354513.db2.gz XHGFHTBLEGBVLY-UONOGXRCSA-N 1 2 417.484 -2.034 20 0 HAADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000487072788 1071354798 /nfs/dbraw/zinc/35/47/98/1071354798.db2.gz XHGFHTBLEGBVLY-ZIAGYGMSSA-N 1 2 417.484 -2.034 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487155540 1071355635 /nfs/dbraw/zinc/35/56/35/1071355635.db2.gz IJUNGEMSYXDIIR-INIZCTEOSA-N 1 2 415.560 -1.281 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487155540 1071355622 /nfs/dbraw/zinc/35/56/22/1071355622.db2.gz IJUNGEMSYXDIIR-INIZCTEOSA-N 1 2 415.560 -1.281 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487155545 1071355780 /nfs/dbraw/zinc/35/57/80/1071355780.db2.gz IJUNGEMSYXDIIR-MRXNPFEDSA-N 1 2 415.560 -1.281 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)CC1 ZINC000487155545 1071355770 /nfs/dbraw/zinc/35/57/70/1071355770.db2.gz IJUNGEMSYXDIIR-MRXNPFEDSA-N 1 2 415.560 -1.281 20 0 HAADLO Cn1cnc2c1c(=O)n(CC(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)c(=O)n2C ZINC000487206645 1071356437 /nfs/dbraw/zinc/35/64/37/1071356437.db2.gz JXNCAJSNKVBRSZ-UHFFFAOYSA-N 1 2 416.442 -1.399 20 0 HAADLO Cn1c2ncn(CC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)c2c(=O)n(C)c1=O ZINC000487234631 1071356155 /nfs/dbraw/zinc/35/61/55/1071356155.db2.gz ULTGWCUVGGRYGD-UHFFFAOYSA-N 1 2 416.442 -1.399 20 0 HAADLO COC(=O)[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000487440673 1071124568 /nfs/dbraw/zinc/12/45/68/1071124568.db2.gz MPXSZZSHFWPXHS-CYBMUJFWSA-N 1 2 412.534 -1.765 20 0 HAADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000487440679 1071124606 /nfs/dbraw/zinc/12/46/06/1071124606.db2.gz MPXSZZSHFWPXHS-ZDUSSCGKSA-N 1 2 412.534 -1.765 20 0 HAADLO O=C([C@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000487552502 1071356372 /nfs/dbraw/zinc/35/63/72/1071356372.db2.gz APYBBTZZPIJOMG-KRWDZBQOSA-N 1 2 405.503 -1.397 20 0 HAADLO O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC000487552503 1071356121 /nfs/dbraw/zinc/35/61/21/1071356121.db2.gz APYBBTZZPIJOMG-QGZVFWFLSA-N 1 2 405.503 -1.397 20 0 HAADLO Cn1c2c(ccn2CC(=O)N2CC[NH+](CCn3cncn3)CC2)c(=O)n(C)c1=O ZINC000487560033 1071356299 /nfs/dbraw/zinc/35/62/99/1071356299.db2.gz NVMNEDWUFZFOPJ-UHFFFAOYSA-N 1 2 400.443 -1.525 20 0 HAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000487572870 1071356689 /nfs/dbraw/zinc/35/66/89/1071356689.db2.gz PDWUUPMXZHTAHH-UHFFFAOYSA-N 1 2 415.520 -1.744 20 0 HAADLO Cn1c2ncn(CC(=O)N3CC[NH+](CCn4cncn4)CC3)c2c(=O)n(C)c1=O ZINC000487577025 1071356764 /nfs/dbraw/zinc/35/67/64/1071356764.db2.gz YFDYQUFVXRLGEC-UHFFFAOYSA-N 1 2 401.431 -2.130 20 0 HAADLO Cn1c2ncn(CCC(=O)N3CC[NH+](CCn4cncn4)CC3)c2c(=O)n(C)c1=O ZINC000487579639 1071356820 /nfs/dbraw/zinc/35/68/20/1071356820.db2.gz DLKMBKWFSCCEFB-UHFFFAOYSA-N 1 2 415.458 -1.740 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@H+]2CCOC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000487895376 1071641717 /nfs/dbraw/zinc/64/17/17/1071641717.db2.gz ILWACBBDYHHXSN-UHFFFAOYSA-N 1 2 410.515 -1.129 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000487895376 1071641709 /nfs/dbraw/zinc/64/17/09/1071641709.db2.gz ILWACBBDYHHXSN-UHFFFAOYSA-N 1 2 410.515 -1.129 20 0 HAADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488837661 1071359344 /nfs/dbraw/zinc/35/93/44/1071359344.db2.gz YWWAPLKYFKVUBN-CABCVRRESA-N 1 2 402.517 -1.293 20 0 HAADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488837663 1071359280 /nfs/dbraw/zinc/35/92/80/1071359280.db2.gz YWWAPLKYFKVUBN-GJZGRUSLSA-N 1 2 402.517 -1.293 20 0 HAADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488837665 1071359450 /nfs/dbraw/zinc/35/94/50/1071359450.db2.gz YWWAPLKYFKVUBN-HUUCEWRRSA-N 1 2 402.517 -1.293 20 0 HAADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488837668 1071359505 /nfs/dbraw/zinc/35/95/05/1071359505.db2.gz YWWAPLKYFKVUBN-LSDHHAIUSA-N 1 2 402.517 -1.293 20 0 HAADLO COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000489063378 1071360293 /nfs/dbraw/zinc/36/02/93/1071360293.db2.gz PXWRELOFLLKFRM-AWEZNQCLSA-N 1 2 403.443 -1.114 20 0 HAADLO COC(=O)[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000489063382 1071360670 /nfs/dbraw/zinc/36/06/70/1071360670.db2.gz PXWRELOFLLKFRM-CQSZACIVSA-N 1 2 403.443 -1.114 20 0 HAADLO Cc1c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000489117219 1071360705 /nfs/dbraw/zinc/36/07/05/1071360705.db2.gz OAEHRILOBSUYNI-UHFFFAOYSA-N 1 2 406.534 -1.473 20 0 HAADLO NC(=O)c1cnn2c1nccc2C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000489196997 1071360951 /nfs/dbraw/zinc/36/09/51/1071360951.db2.gz PWLCEKNOTIXDIA-GFCCVEGCSA-N 1 2 401.427 -1.509 20 0 HAADLO NC(=O)c1cnn2c1nccc2C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000489196998 1071361076 /nfs/dbraw/zinc/36/10/76/1071361076.db2.gz PWLCEKNOTIXDIA-LBPRGKRZSA-N 1 2 401.427 -1.509 20 0 HAADLO O=C1NC[C@H]2CN(CCOCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000489355136 1071362502 /nfs/dbraw/zinc/36/25/02/1071362502.db2.gz JHQGUQIKOWAYAU-KBPBESRZSA-N 1 2 408.459 -3.712 20 0 HAADLO O=C1NC[C@H]2CN(CCOCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000489355136 1071362489 /nfs/dbraw/zinc/36/24/89/1071362489.db2.gz JHQGUQIKOWAYAU-KBPBESRZSA-N 1 2 408.459 -3.712 20 0 HAADLO O=C1NC[C@@H]2C[N@@H+](CCOCCN3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000489355144 1071362425 /nfs/dbraw/zinc/36/24/25/1071362425.db2.gz JHQGUQIKOWAYAU-OKILXGFUSA-N 1 2 408.459 -3.712 20 0 HAADLO O=C1NC[C@@H]2C[N@H+](CCOCCN3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000489355144 1071362420 /nfs/dbraw/zinc/36/24/20/1071362420.db2.gz JHQGUQIKOWAYAU-OKILXGFUSA-N 1 2 408.459 -3.712 20 0 HAADLO O=C1NC[C@@H]2CN(CCOCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000489355144 1071362410 /nfs/dbraw/zinc/36/24/10/1071362410.db2.gz JHQGUQIKOWAYAU-OKILXGFUSA-N 1 2 408.459 -3.712 20 0 HAADLO O=C1NC[C@@H]2CN(CCOCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000489355144 1071362402 /nfs/dbraw/zinc/36/24/02/1071362402.db2.gz JHQGUQIKOWAYAU-OKILXGFUSA-N 1 2 408.459 -3.712 20 0 HAADLO O=C1NC[C@@H]2CN(CCOCC[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000489355145 1071362459 /nfs/dbraw/zinc/36/24/59/1071362459.db2.gz JHQGUQIKOWAYAU-ZIAGYGMSSA-N 1 2 408.459 -3.712 20 0 HAADLO O=C1NC[C@@H]2CN(CCOCC[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000489355145 1071362449 /nfs/dbraw/zinc/36/24/49/1071362449.db2.gz JHQGUQIKOWAYAU-ZIAGYGMSSA-N 1 2 408.459 -3.712 20 0 HAADLO Cn1cnn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1=O ZINC000489403764 1071362545 /nfs/dbraw/zinc/36/25/45/1071362545.db2.gz DNEDBHQXQZIIPZ-AWEZNQCLSA-N 1 2 402.459 -1.006 20 0 HAADLO Cn1cnn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1=O ZINC000489403764 1071362535 /nfs/dbraw/zinc/36/25/35/1071362535.db2.gz DNEDBHQXQZIIPZ-AWEZNQCLSA-N 1 2 402.459 -1.006 20 0 HAADLO Cn1cnn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1=O ZINC000489403768 1071363050 /nfs/dbraw/zinc/36/30/50/1071363050.db2.gz DNEDBHQXQZIIPZ-CQSZACIVSA-N 1 2 402.459 -1.006 20 0 HAADLO Cn1cnn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1=O ZINC000489403768 1071363043 /nfs/dbraw/zinc/36/30/43/1071363043.db2.gz DNEDBHQXQZIIPZ-CQSZACIVSA-N 1 2 402.459 -1.006 20 0 HAADLO NS(=O)(=O)N1CCN(CCOCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000489454772 1071363079 /nfs/dbraw/zinc/36/30/79/1071363079.db2.gz GNTPYNOWBDRMGI-UHFFFAOYSA-N 1 2 400.527 -3.355 20 0 HAADLO COc1c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)nn1C ZINC000489940128 1071365523 /nfs/dbraw/zinc/36/55/23/1071365523.db2.gz FVFRQZOQOXQFJA-UHFFFAOYSA-N 1 2 400.505 -1.013 20 0 HAADLO COCCNc1nc(N2CCN(C)C(=O)[C@H]2C)[nH+]c(N2CCN(C)C(=O)[C@H]2C)n1 ZINC000489983441 1071366210 /nfs/dbraw/zinc/36/62/10/1071366210.db2.gz DLWUOIIRVUQGBQ-CHWSQXEVSA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N2CCN(C)C(=O)[C@H]2C)nc(N2CCN(C)C(=O)[C@H]2C)[nH+]1 ZINC000489983441 1071366205 /nfs/dbraw/zinc/36/62/05/1071366205.db2.gz DLWUOIIRVUQGBQ-CHWSQXEVSA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N2CCN(C)C(=O)[C@@H]2C)[nH+]c(N2CCN(C)C(=O)[C@@H]2C)n1 ZINC000489983442 1071366163 /nfs/dbraw/zinc/36/61/63/1071366163.db2.gz DLWUOIIRVUQGBQ-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N2CCN(C)C(=O)[C@@H]2C)nc(N2CCN(C)C(=O)[C@@H]2C)[nH+]1 ZINC000489983442 1071366158 /nfs/dbraw/zinc/36/61/58/1071366158.db2.gz DLWUOIIRVUQGBQ-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000490159449 1071368651 /nfs/dbraw/zinc/36/86/51/1071368651.db2.gz RKSGYJKVDYJAME-UHFFFAOYSA-N 1 2 418.454 -1.249 20 0 HAADLO CNC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000490172763 1071368403 /nfs/dbraw/zinc/36/84/03/1071368403.db2.gz DMAFGXREMIYQDX-UHFFFAOYSA-N 1 2 410.500 -1.309 20 0 HAADLO Cn1c(N)c(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(=O)n(C)c1=O ZINC000490921199 1071371259 /nfs/dbraw/zinc/37/12/59/1071371259.db2.gz CSSVOVYJSQIISK-UHFFFAOYSA-N 1 2 406.487 -1.521 20 0 HAADLO Cn1c(N)c(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(=O)n(C)c1=O ZINC000490921199 1071371247 /nfs/dbraw/zinc/37/12/47/1071371247.db2.gz CSSVOVYJSQIISK-UHFFFAOYSA-N 1 2 406.487 -1.521 20 0 HAADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000491271832 1071435259 /nfs/dbraw/zinc/43/52/59/1071435259.db2.gz PNPUNKIKOGTRIY-UHFFFAOYSA-N 1 2 404.427 -1.639 20 0 HAADLO Cc1nn(C)c(=O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000491443236 1071464439 /nfs/dbraw/zinc/46/44/39/1071464439.db2.gz FTMGJXKGDXYUDU-UHFFFAOYSA-N 1 2 412.516 -1.353 20 0 HAADLO CC[C@H](C)NC(=O)CN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000492697698 1071467115 /nfs/dbraw/zinc/46/71/15/1071467115.db2.gz BMJHMSSXIGUOMF-AWEZNQCLSA-N 1 2 405.503 -1.034 20 0 HAADLO CC[C@@H](C)NC(=O)CN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000492697699 1071467052 /nfs/dbraw/zinc/46/70/52/1071467052.db2.gz BMJHMSSXIGUOMF-CQSZACIVSA-N 1 2 405.503 -1.034 20 0 HAADLO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+]1CCN(C)CC1 ZINC000492732765 1071468141 /nfs/dbraw/zinc/46/81/41/1071468141.db2.gz ZENPACGAVMPYDU-CYBMUJFWSA-N 1 2 413.500 -1.153 20 0 HAADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+]1CCN(C)CC1 ZINC000492732766 1071467995 /nfs/dbraw/zinc/46/79/95/1071467995.db2.gz ZENPACGAVMPYDU-ZDUSSCGKSA-N 1 2 413.500 -1.153 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000492877131 1071468020 /nfs/dbraw/zinc/46/80/20/1071468020.db2.gz DKMVDOGBGFCYOC-CYBMUJFWSA-N 1 2 413.442 -1.752 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000492877132 1071468865 /nfs/dbraw/zinc/46/88/65/1071468865.db2.gz DKMVDOGBGFCYOC-ZDUSSCGKSA-N 1 2 413.442 -1.752 20 0 HAADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000494188727 1071472422 /nfs/dbraw/zinc/47/24/22/1071472422.db2.gz LWRWRWRDGBSNIY-INIZCTEOSA-N 1 2 417.532 -1.246 20 0 HAADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000494188727 1071472417 /nfs/dbraw/zinc/47/24/17/1071472417.db2.gz LWRWRWRDGBSNIY-INIZCTEOSA-N 1 2 417.532 -1.246 20 0 HAADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000494188728 1071472349 /nfs/dbraw/zinc/47/23/49/1071472349.db2.gz LWRWRWRDGBSNIY-MRXNPFEDSA-N 1 2 417.532 -1.246 20 0 HAADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000494188728 1071472343 /nfs/dbraw/zinc/47/23/43/1071472343.db2.gz LWRWRWRDGBSNIY-MRXNPFEDSA-N 1 2 417.532 -1.246 20 0 HAADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000494194105 1071472200 /nfs/dbraw/zinc/47/22/00/1071472200.db2.gz FIFLLHDOFQJKKI-INIZCTEOSA-N 1 2 409.487 -1.438 20 0 HAADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000494194105 1071472189 /nfs/dbraw/zinc/47/21/89/1071472189.db2.gz FIFLLHDOFQJKKI-INIZCTEOSA-N 1 2 409.487 -1.438 20 0 HAADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000494194106 1071473257 /nfs/dbraw/zinc/47/32/57/1071473257.db2.gz FIFLLHDOFQJKKI-MRXNPFEDSA-N 1 2 409.487 -1.438 20 0 HAADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000494194106 1071473240 /nfs/dbraw/zinc/47/32/40/1071473240.db2.gz FIFLLHDOFQJKKI-MRXNPFEDSA-N 1 2 409.487 -1.438 20 0 HAADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494198052 1071473317 /nfs/dbraw/zinc/47/33/17/1071473317.db2.gz KHXBOBSHNUPRLG-HNNXBMFYSA-N 1 2 407.471 -1.148 20 0 HAADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494198052 1071473307 /nfs/dbraw/zinc/47/33/07/1071473307.db2.gz KHXBOBSHNUPRLG-HNNXBMFYSA-N 1 2 407.471 -1.148 20 0 HAADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000494198053 1071473057 /nfs/dbraw/zinc/47/30/57/1071473057.db2.gz KHXBOBSHNUPRLG-OAHLLOKOSA-N 1 2 407.471 -1.148 20 0 HAADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000494198053 1071473050 /nfs/dbraw/zinc/47/30/50/1071473050.db2.gz KHXBOBSHNUPRLG-OAHLLOKOSA-N 1 2 407.471 -1.148 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494222325 1071473131 /nfs/dbraw/zinc/47/31/31/1071473131.db2.gz FHRGYISKPLZWFC-AWEZNQCLSA-N 1 2 407.475 -1.479 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494222325 1071473125 /nfs/dbraw/zinc/47/31/25/1071473125.db2.gz FHRGYISKPLZWFC-AWEZNQCLSA-N 1 2 407.475 -1.479 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1C[N@H+](C3CC3)CCO1)C2 ZINC000494222326 1071472923 /nfs/dbraw/zinc/47/29/23/1071472923.db2.gz FHRGYISKPLZWFC-CQSZACIVSA-N 1 2 407.475 -1.479 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H]1C[N@@H+](C3CC3)CCO1)C2 ZINC000494222326 1071472915 /nfs/dbraw/zinc/47/29/15/1071472915.db2.gz FHRGYISKPLZWFC-CQSZACIVSA-N 1 2 407.475 -1.479 20 0 HAADLO Cn1nnc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000494730786 1071476856 /nfs/dbraw/zinc/47/68/56/1071476856.db2.gz WQLZZTJIFIMJSZ-UHFFFAOYSA-N 1 2 409.476 -1.444 20 0 HAADLO CC(=O)NCC(=O)NCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495339781 1071483380 /nfs/dbraw/zinc/48/33/80/1071483380.db2.gz CTUYUQSXQSCOOL-UHFFFAOYSA-N 1 2 404.493 -3.125 20 0 HAADLO C[C@@H](Sc1nncn1C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340517 1071482486 /nfs/dbraw/zinc/48/24/86/1071482486.db2.gz STUBEBGWIZZDLC-CYBMUJFWSA-N 1 2 417.561 -1.068 20 0 HAADLO C[C@H](Sc1nncn1C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340518 1071482251 /nfs/dbraw/zinc/48/22/51/1071482251.db2.gz STUBEBGWIZZDLC-ZDUSSCGKSA-N 1 2 417.561 -1.068 20 0 HAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495395617 1071483374 /nfs/dbraw/zinc/48/33/74/1071483374.db2.gz GMDCPSNGGTZFOJ-CYBMUJFWSA-N 1 2 403.443 -1.050 20 0 HAADLO O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495395617 1071483370 /nfs/dbraw/zinc/48/33/70/1071483370.db2.gz GMDCPSNGGTZFOJ-CYBMUJFWSA-N 1 2 403.443 -1.050 20 0 HAADLO O=C(CN1CC(=O)NC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495395618 1071483079 /nfs/dbraw/zinc/48/30/79/1071483079.db2.gz GMDCPSNGGTZFOJ-ZDUSSCGKSA-N 1 2 403.443 -1.050 20 0 HAADLO O=C(CN1CC(=O)NC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495395618 1071483069 /nfs/dbraw/zinc/48/30/69/1071483069.db2.gz GMDCPSNGGTZFOJ-ZDUSSCGKSA-N 1 2 403.443 -1.050 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000496957840 1071497260 /nfs/dbraw/zinc/49/72/60/1071497260.db2.gz WVOAKVSNZYLKEU-JTQLQIEISA-N 1 2 405.249 -1.137 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000496957841 1071497361 /nfs/dbraw/zinc/49/73/61/1071497361.db2.gz WVOAKVSNZYLKEU-SNVBAGLBSA-N 1 2 405.249 -1.137 20 0 HAADLO Cc1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000497005411 1071498038 /nfs/dbraw/zinc/49/80/38/1071498038.db2.gz SOLOLFPMWOFSRY-CYBMUJFWSA-N 1 2 405.455 -1.294 20 0 HAADLO Cc1cc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000497005412 1071498126 /nfs/dbraw/zinc/49/81/26/1071498126.db2.gz SOLOLFPMWOFSRY-ZDUSSCGKSA-N 1 2 405.455 -1.294 20 0 HAADLO Cc1c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497005734 1071497188 /nfs/dbraw/zinc/49/71/88/1071497188.db2.gz VOXLJYJSZSNKID-CYBMUJFWSA-N 1 2 405.455 -1.294 20 0 HAADLO Cc1c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000497005735 1071498010 /nfs/dbraw/zinc/49/80/10/1071498010.db2.gz VOXLJYJSZSNKID-ZDUSSCGKSA-N 1 2 405.455 -1.294 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497021220 1071497990 /nfs/dbraw/zinc/49/79/90/1071497990.db2.gz RQSYVMZHSXXVLA-DZGCQCFKSA-N 1 2 417.532 -1.145 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497021223 1071498079 /nfs/dbraw/zinc/49/80/79/1071498079.db2.gz RQSYVMZHSXXVLA-HIFRSBDPSA-N 1 2 417.532 -1.145 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497021224 1071498160 /nfs/dbraw/zinc/49/81/60/1071498160.db2.gz RQSYVMZHSXXVLA-UKRRQHHQSA-N 1 2 417.532 -1.145 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497021225 1071498095 /nfs/dbraw/zinc/49/80/95/1071498095.db2.gz RQSYVMZHSXXVLA-ZFWWWQNUSA-N 1 2 417.532 -1.145 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000497035532 1071497825 /nfs/dbraw/zinc/49/78/25/1071497825.db2.gz OEQCRYBFONFSPH-CYBMUJFWSA-N 1 2 408.459 -2.025 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000497035533 1071497841 /nfs/dbraw/zinc/49/78/41/1071497841.db2.gz OEQCRYBFONFSPH-ZDUSSCGKSA-N 1 2 408.459 -2.025 20 0 HAADLO Cc1nc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cn1C ZINC000497036379 1071497955 /nfs/dbraw/zinc/49/79/55/1071497955.db2.gz SPQCZZQMDIXMKQ-AWEZNQCLSA-N 1 2 403.505 -1.452 20 0 HAADLO Cc1nc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cn1C ZINC000497036380 1071498049 /nfs/dbraw/zinc/49/80/49/1071498049.db2.gz SPQCZZQMDIXMKQ-CQSZACIVSA-N 1 2 403.505 -1.452 20 0 HAADLO Cc1c[nH+]c(N2CCN(C(=O)[C@H](C)O)CC2)nc1N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000497536482 1071502340 /nfs/dbraw/zinc/50/23/40/1071502340.db2.gz CXFLAJIDAHSHOW-CABCVRRESA-N 1 2 406.487 -1.156 20 0 HAADLO Cc1c[nH+]c(N2CCN(C(=O)[C@H](C)O)CC2)nc1N1CCN(C(=O)[C@H](C)O)CC1 ZINC000497536483 1071502132 /nfs/dbraw/zinc/50/21/32/1071502132.db2.gz CXFLAJIDAHSHOW-GJZGRUSLSA-N 1 2 406.487 -1.156 20 0 HAADLO Cc1c[nH+]c(N2CCN(C(=O)[C@@H](C)O)CC2)nc1N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000497536484 1071502259 /nfs/dbraw/zinc/50/22/59/1071502259.db2.gz CXFLAJIDAHSHOW-HUUCEWRRSA-N 1 2 406.487 -1.156 20 0 HAADLO Cc1c[nH+]c(N2CCN(C(=O)[C@@H](C)O)CC2)nc1N1CCN(C(=O)[C@H](C)O)CC1 ZINC000497536485 1071502215 /nfs/dbraw/zinc/50/22/15/1071502215.db2.gz CXFLAJIDAHSHOW-LSDHHAIUSA-N 1 2 406.487 -1.156 20 0 HAADLO CNc1nc(N2CCN(C(=O)[C@@H](C)O)CC2)[nH+]c(N2CCN(C(=O)[C@@H](C)O)CC2)n1 ZINC000497541759 1071502317 /nfs/dbraw/zinc/50/23/17/1071502317.db2.gz ZLXWRBLRCAYDAM-CHWSQXEVSA-N 1 2 422.490 -2.606 20 0 HAADLO CNc1nc(N2CCN(C(=O)[C@H](C)O)CC2)[nH+]c(N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000497541762 1071502367 /nfs/dbraw/zinc/50/23/67/1071502367.db2.gz ZLXWRBLRCAYDAM-STQMWFEESA-N 1 2 422.490 -2.606 20 0 HAADLO CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000497574545 1071502934 /nfs/dbraw/zinc/50/29/34/1071502934.db2.gz JHQGNBBHVKEHPX-HNNXBMFYSA-N 1 2 414.503 -1.407 20 0 HAADLO CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000497574546 1071502962 /nfs/dbraw/zinc/50/29/62/1071502962.db2.gz JHQGNBBHVKEHPX-OAHLLOKOSA-N 1 2 414.503 -1.407 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497694480 1071503499 /nfs/dbraw/zinc/50/34/99/1071503499.db2.gz AXNGSRRQWZQSMF-DOTOQJQBSA-N 1 2 408.503 -1.343 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497694481 1071503578 /nfs/dbraw/zinc/50/35/78/1071503578.db2.gz AXNGSRRQWZQSMF-NVXWUHKLSA-N 1 2 408.503 -1.343 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000497694482 1071503482 /nfs/dbraw/zinc/50/34/82/1071503482.db2.gz AXNGSRRQWZQSMF-RDJZCZTQSA-N 1 2 408.503 -1.343 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000497694483 1071503520 /nfs/dbraw/zinc/50/35/20/1071503520.db2.gz AXNGSRRQWZQSMF-WBVHZDCISA-N 1 2 408.503 -1.343 20 0 HAADLO O=C([C@@H]1CCCO1)N1CCN(CC(O)C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000497751384 1071504158 /nfs/dbraw/zinc/50/41/58/1071504158.db2.gz WODULGSBVHFOGM-OALUTQOASA-N 1 2 424.542 -1.006 20 0 HAADLO O=C([C@H]1CCCO1)N1CC[NH+](C[C@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000497751388 1071504334 /nfs/dbraw/zinc/50/43/34/1071504334.db2.gz WODULGSBVHFOGM-REPLKXPHSA-N 1 2 424.542 -1.006 20 0 HAADLO O=C([C@H]1CCCO1)N1CCN(C[C@H](O)C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000497751388 1071504322 /nfs/dbraw/zinc/50/43/22/1071504322.db2.gz WODULGSBVHFOGM-REPLKXPHSA-N 1 2 424.542 -1.006 20 0 HAADLO O=C([C@H]1CCCO1)N1CCN(CC(O)C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000497751390 1071504141 /nfs/dbraw/zinc/50/41/41/1071504141.db2.gz WODULGSBVHFOGM-RTBURBONSA-N 1 2 424.542 -1.006 20 0 HAADLO CS(=O)(=O)N1CCN(CC2(C[NH+]3CCN(S(C)(=O)=O)CC3)COC2)CC1 ZINC000497839099 1071504807 /nfs/dbraw/zinc/50/48/07/1071504807.db2.gz FAGOOQWTQVWNGP-UHFFFAOYSA-N 1 2 410.562 -1.843 20 0 HAADLO CN1C(=O)C(=O)N(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000498164654 1071507522 /nfs/dbraw/zinc/50/75/22/1071507522.db2.gz GRABCMMGEQMUIA-UHFFFAOYSA-N 1 2 402.411 -1.343 20 0 HAADLO Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nn21 ZINC000498177120 1071507658 /nfs/dbraw/zinc/50/76/58/1071507658.db2.gz WQNJLSFWFUBVHP-UHFFFAOYSA-N 1 2 408.488 -1.317 20 0 HAADLO COCCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000498178766 1071507461 /nfs/dbraw/zinc/50/74/61/1071507461.db2.gz DTKQWJBJJPVQMK-HNNXBMFYSA-N 1 2 417.532 -1.882 20 0 HAADLO COCCN1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000498178769 1071507594 /nfs/dbraw/zinc/50/75/94/1071507594.db2.gz DTKQWJBJJPVQMK-OAHLLOKOSA-N 1 2 417.532 -1.882 20 0 HAADLO Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498188699 1071507567 /nfs/dbraw/zinc/50/75/67/1071507567.db2.gz XIMHSLMTBKMGGI-UHFFFAOYSA-N 1 2 412.516 -1.144 20 0 HAADLO CC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000498188756 1071508150 /nfs/dbraw/zinc/50/81/50/1071508150.db2.gz YPBYWZCAFLFNRN-INIZCTEOSA-N 1 2 401.533 -1.119 20 0 HAADLO 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/nfs/dbraw/zinc/98/75/38/1070987538.db2.gz BJLNIEXESXESRA-ZDUSSCGKSA-N 1 2 411.550 -1.761 20 0 HAADLO Cn1cnc(S(=O)(=O)NCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000503672124 1070989337 /nfs/dbraw/zinc/98/93/37/1070989337.db2.gz QUDRGICJQKWCPN-UHFFFAOYSA-N 1 2 408.488 -1.573 20 0 HAADLO COCCOCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000503767017 1070990710 /nfs/dbraw/zinc/99/07/10/1070990710.db2.gz ZCXXIKPHBCPJNY-UHFFFAOYSA-N 1 2 407.537 -1.141 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CSc2nc(N)nc(N)n2)CC1 ZINC000504541835 1070992706 /nfs/dbraw/zinc/99/27/06/1070992706.db2.gz KXSRRBYWFQJSFK-UHFFFAOYSA-N 1 2 401.460 -1.186 20 0 HAADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000504590044 1070994706 /nfs/dbraw/zinc/99/47/06/1070994706.db2.gz BYOCBIOKSYDYOQ-DZGCQCFKSA-N 1 2 420.470 -1.263 20 0 HAADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)[C@@H](C)C1 ZINC000504590044 1070994701 /nfs/dbraw/zinc/99/47/01/1070994701.db2.gz 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ZINC000505670482 1071010537 /nfs/dbraw/zinc/01/05/37/1071010537.db2.gz JTFIXDVBOPQPEW-CYBMUJFWSA-N 1 2 405.455 -1.374 20 0 HAADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000505670482 1071010518 /nfs/dbraw/zinc/01/05/18/1071010518.db2.gz JTFIXDVBOPQPEW-CYBMUJFWSA-N 1 2 405.455 -1.374 20 0 HAADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000505670483 1071010897 /nfs/dbraw/zinc/01/08/97/1071010897.db2.gz JTFIXDVBOPQPEW-ZDUSSCGKSA-N 1 2 405.455 -1.374 20 0 HAADLO CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000505670483 1071010879 /nfs/dbraw/zinc/01/08/79/1071010879.db2.gz JTFIXDVBOPQPEW-ZDUSSCGKSA-N 1 2 405.455 -1.374 20 0 HAADLO COCc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n2ncnc2n1 ZINC000506065771 1071586838 /nfs/dbraw/zinc/58/68/38/1071586838.db2.gz CEDVSEUSYCQJGS-UHFFFAOYSA-N 1 2 410.504 -1.115 20 0 HAADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)CCO1 ZINC000506209874 1071028858 /nfs/dbraw/zinc/02/88/58/1071028858.db2.gz XDTIKPSFQDALQT-HNNXBMFYSA-N 1 2 408.455 -1.682 20 0 HAADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)CCO1 ZINC000506209874 1071028853 /nfs/dbraw/zinc/02/88/53/1071028853.db2.gz XDTIKPSFQDALQT-HNNXBMFYSA-N 1 2 408.455 -1.682 20 0 HAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)CCO1 ZINC000506209875 1071028661 /nfs/dbraw/zinc/02/86/61/1071028661.db2.gz XDTIKPSFQDALQT-OAHLLOKOSA-N 1 2 408.455 -1.682 20 0 HAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)CCO1 ZINC000506209875 1071028652 /nfs/dbraw/zinc/02/86/52/1071028652.db2.gz XDTIKPSFQDALQT-OAHLLOKOSA-N 1 2 408.455 -1.682 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C2 ZINC000507903466 1071078621 /nfs/dbraw/zinc/07/86/21/1071078621.db2.gz RSOQKHMIEHKSNP-HNNXBMFYSA-N 1 2 406.487 -1.024 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C2 ZINC000507903466 1071078613 /nfs/dbraw/zinc/07/86/13/1071078613.db2.gz RSOQKHMIEHKSNP-HNNXBMFYSA-N 1 2 406.487 -1.024 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1COCC[N@H+]1CC1CCC1)C2 ZINC000507903472 1071078559 /nfs/dbraw/zinc/07/85/59/1071078559.db2.gz RSOQKHMIEHKSNP-OAHLLOKOSA-N 1 2 406.487 -1.024 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C2 ZINC000507903472 1071078548 /nfs/dbraw/zinc/07/85/48/1071078548.db2.gz RSOQKHMIEHKSNP-OAHLLOKOSA-N 1 2 406.487 -1.024 20 0 HAADLO CNC(=O)c1cccc(CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000508032658 1071080757 /nfs/dbraw/zinc/08/07/57/1071080757.db2.gz LSHQRRWSDGPAOV-KRWDZBQOSA-N 1 2 406.483 -1.144 20 0 HAADLO CNC(=O)c1cccc(CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000508032659 1071081003 /nfs/dbraw/zinc/08/10/03/1071081003.db2.gz LSHQRRWSDGPAOV-QGZVFWFLSA-N 1 2 406.483 -1.144 20 0 HAADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508284305 1071084507 /nfs/dbraw/zinc/08/45/07/1071084507.db2.gz FZLRCVRQXRHQDF-DLBZAZTESA-N 1 2 421.542 -1.022 20 0 HAADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508284308 1071084378 /nfs/dbraw/zinc/08/43/78/1071084378.db2.gz FZLRCVRQXRHQDF-IAGOWNOFSA-N 1 2 421.542 -1.022 20 0 HAADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508284310 1071084098 /nfs/dbraw/zinc/08/40/98/1071084098.db2.gz FZLRCVRQXRHQDF-IRXDYDNUSA-N 1 2 421.542 -1.022 20 0 HAADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000508284312 1071084550 /nfs/dbraw/zinc/08/45/50/1071084550.db2.gz FZLRCVRQXRHQDF-SJORKVTESA-N 1 2 421.542 -1.022 20 0 HAADLO CNc1nc(N2CCN(CCOC)C(=O)C2)[nH+]c(N2CCN(CCOC)C(=O)C2)n1 ZINC000508337799 1071085329 /nfs/dbraw/zinc/08/53/29/1071085329.db2.gz HNMIYSAXVXPPTI-UHFFFAOYSA-N 1 2 422.490 -2.075 20 0 HAADLO CNc1nc(N2CCN(CCOC)C(=O)C2)nc(N2CCN(CCOC)C(=O)C2)[nH+]1 ZINC000508337799 1071085314 /nfs/dbraw/zinc/08/53/14/1071085314.db2.gz HNMIYSAXVXPPTI-UHFFFAOYSA-N 1 2 422.490 -2.075 20 0 HAADLO Cc1cnn(C)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000508842224 1071428501 /nfs/dbraw/zinc/42/85/01/1071428501.db2.gz NDUSQHIYGUGELW-UHFFFAOYSA-N 1 2 406.534 -1.473 20 0 HAADLO CSCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509225144 1071612904 /nfs/dbraw/zinc/61/29/04/1071612904.db2.gz PIMHZLASLMFYGE-CYBMUJFWSA-N 1 2 422.577 -1.587 20 0 HAADLO CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509225149 1071613066 /nfs/dbraw/zinc/61/30/66/1071613066.db2.gz PIMHZLASLMFYGE-ZDUSSCGKSA-N 1 2 422.577 -1.587 20 0 HAADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000509344594 1071633318 /nfs/dbraw/zinc/63/33/18/1071633318.db2.gz OQUSYEDLYHTXMT-KBPBESRZSA-N 1 2 415.516 -1.444 20 0 HAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000509344595 1071633246 /nfs/dbraw/zinc/63/32/46/1071633246.db2.gz OQUSYEDLYHTXMT-OKILXGFUSA-N 1 2 415.516 -1.444 20 0 HAADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000509344596 1071633283 /nfs/dbraw/zinc/63/32/83/1071633283.db2.gz OQUSYEDLYHTXMT-ZIAGYGMSSA-N 1 2 415.516 -1.444 20 0 HAADLO Cn1cc(C[NH+]2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(=O)n(C)c1=O ZINC000509349553 1071633872 /nfs/dbraw/zinc/63/38/72/1071633872.db2.gz YUUUSUMJFSYEFE-UHFFFAOYSA-N 1 2 400.505 -2.306 20 0 HAADLO COCCN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC000509463063 1071897191 /nfs/dbraw/zinc/89/71/91/1071897191.db2.gz LJKFLKNCLVYJSE-UHFFFAOYSA-N 1 2 416.486 -1.198 20 0 HAADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510183669 1070802274 /nfs/dbraw/zinc/80/22/74/1070802274.db2.gz HVSVDNZZGOKJNI-JTQLQIEISA-N 1 2 401.489 -1.501 20 0 HAADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000510183679 1070802225 /nfs/dbraw/zinc/80/22/25/1070802225.db2.gz HVSVDNZZGOKJNI-SNVBAGLBSA-N 1 2 401.489 -1.501 20 0 HAADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000510213747 1070803256 /nfs/dbraw/zinc/80/32/56/1070803256.db2.gz HUORPZPNFVWJII-HUUCEWRRSA-N 1 2 402.517 -1.293 20 0 HAADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000510213760 1070802972 /nfs/dbraw/zinc/80/29/72/1070802972.db2.gz HUORPZPNFVWJII-LSDHHAIUSA-N 1 2 402.517 -1.293 20 0 HAADLO COC(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000510247348 1070803925 /nfs/dbraw/zinc/80/39/25/1070803925.db2.gz XBLZFOPPOXCANT-UHFFFAOYSA-N 1 2 412.534 -1.621 20 0 HAADLO CC[C@@H](C)[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400529 1070831382 /nfs/dbraw/zinc/83/13/82/1070831382.db2.gz ZWJHQVORWJGBFI-CVEARBPZSA-N 1 2 422.530 -2.065 20 0 HAADLO CC[C@@H](C)[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400529 1070831345 /nfs/dbraw/zinc/83/13/45/1070831345.db2.gz ZWJHQVORWJGBFI-CVEARBPZSA-N 1 2 422.530 -2.065 20 0 HAADLO CC[C@H](C)[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400530 1070831815 /nfs/dbraw/zinc/83/18/15/1070831815.db2.gz ZWJHQVORWJGBFI-HOTGVXAUSA-N 1 2 422.530 -2.065 20 0 HAADLO CC[C@H](C)[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400530 1070831783 /nfs/dbraw/zinc/83/17/83/1070831783.db2.gz ZWJHQVORWJGBFI-HOTGVXAUSA-N 1 2 422.530 -2.065 20 0 HAADLO CC[C@@H](C)[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400531 1070831510 /nfs/dbraw/zinc/83/15/10/1070831510.db2.gz ZWJHQVORWJGBFI-HZPDHXFCSA-N 1 2 422.530 -2.065 20 0 HAADLO CC[C@@H](C)[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400531 1070831480 /nfs/dbraw/zinc/83/14/80/1070831480.db2.gz ZWJHQVORWJGBFI-HZPDHXFCSA-N 1 2 422.530 -2.065 20 0 HAADLO CC[C@H](C)[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400532 1070831686 /nfs/dbraw/zinc/83/16/86/1070831686.db2.gz ZWJHQVORWJGBFI-JKSUJKDBSA-N 1 2 422.530 -2.065 20 0 HAADLO CC[C@H](C)[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000510400532 1070831658 /nfs/dbraw/zinc/83/16/58/1070831658.db2.gz ZWJHQVORWJGBFI-JKSUJKDBSA-N 1 2 422.530 -2.065 20 0 HAADLO Cc1noc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000510414923 1070832141 /nfs/dbraw/zinc/83/21/41/1070832141.db2.gz UJVYIROFZCNZMR-UHFFFAOYSA-N 1 2 401.493 -1.260 20 0 HAADLO CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000510497417 1070838854 /nfs/dbraw/zinc/83/88/54/1070838854.db2.gz VLNPQGJREVSXHB-CABCVRRESA-N 1 2 402.517 -1.435 20 0 HAADLO CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000510497418 1070839218 /nfs/dbraw/zinc/83/92/18/1070839218.db2.gz VLNPQGJREVSXHB-GJZGRUSLSA-N 1 2 402.517 -1.435 20 0 HAADLO CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000510497419 1070839068 /nfs/dbraw/zinc/83/90/68/1070839068.db2.gz VLNPQGJREVSXHB-HUUCEWRRSA-N 1 2 402.517 -1.435 20 0 HAADLO CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000510497420 1070838942 /nfs/dbraw/zinc/83/89/42/1070838942.db2.gz VLNPQGJREVSXHB-LSDHHAIUSA-N 1 2 402.517 -1.435 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)CC1)N1CCOCC1 ZINC000510612480 1071643015 /nfs/dbraw/zinc/64/30/15/1071643015.db2.gz DTOJIHNIOVRCSY-FQEVSTJZSA-N 1 2 410.515 -1.129 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CC1)N1CCOCC1 ZINC000510612480 1071643010 /nfs/dbraw/zinc/64/30/10/1071643010.db2.gz DTOJIHNIOVRCSY-FQEVSTJZSA-N 1 2 410.515 -1.129 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@H+]2CCO[C@]3(CCCOC3)C2)CC1)N1CCOCC1 ZINC000510612485 1071643079 /nfs/dbraw/zinc/64/30/79/1071643079.db2.gz DTOJIHNIOVRCSY-HXUWFJFHSA-N 1 2 410.515 -1.129 20 0 HAADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC1)N1CCOCC1 ZINC000510612485 1071643076 /nfs/dbraw/zinc/64/30/76/1071643076.db2.gz DTOJIHNIOVRCSY-HXUWFJFHSA-N 1 2 410.515 -1.129 20 0 HAADLO NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510660843 1070841095 /nfs/dbraw/zinc/84/10/95/1070841095.db2.gz TWLKXIPJAGWWPO-CYBMUJFWSA-N 1 2 404.514 -1.254 20 0 HAADLO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510660843 1070841070 /nfs/dbraw/zinc/84/10/70/1070841070.db2.gz TWLKXIPJAGWWPO-CYBMUJFWSA-N 1 2 404.514 -1.254 20 0 HAADLO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510660844 1070840782 /nfs/dbraw/zinc/84/07/82/1070840782.db2.gz TWLKXIPJAGWWPO-ZDUSSCGKSA-N 1 2 404.514 -1.254 20 0 HAADLO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000510660844 1070840754 /nfs/dbraw/zinc/84/07/54/1070840754.db2.gz TWLKXIPJAGWWPO-ZDUSSCGKSA-N 1 2 404.514 -1.254 20 0 HAADLO CC(C)(CNC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000510814895 1070842470 /nfs/dbraw/zinc/84/24/70/1070842470.db2.gz PDNPHSOJXZESPB-UHFFFAOYSA-N 1 2 411.547 -1.310 20 0 HAADLO COC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000510864258 1070842793 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/nfs/dbraw/zinc/10/26/53/1071102653.db2.gz GTXPFXFBVXEOIG-CQSZACIVSA-N 1 2 402.455 -1.134 20 0 HAADLO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)NC1CC1 ZINC000521445773 1071131783 /nfs/dbraw/zinc/13/17/83/1071131783.db2.gz CVNABJCMIXUHRG-INIZCTEOSA-N 1 2 407.515 -1.410 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521500394 1071105218 /nfs/dbraw/zinc/10/52/18/1071105218.db2.gz KKXNRNGJCXXOFU-HNNXBMFYSA-N 1 2 420.474 -2.475 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521500397 1071105065 /nfs/dbraw/zinc/10/50/65/1071105065.db2.gz KKXNRNGJCXXOFU-OAHLLOKOSA-N 1 2 420.474 -2.475 20 0 HAADLO COCCN(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522063393 1071113532 /nfs/dbraw/zinc/11/35/32/1071113532.db2.gz XLLAOUSUUOPOPQ-UHFFFAOYSA-N 1 2 421.545 -1.054 20 0 HAADLO NS(=O)(=O)c1cnn(CCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000522395851 1071123559 /nfs/dbraw/zinc/12/35/59/1071123559.db2.gz 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CCN(C1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1)S(C)(=O)=O ZINC000533384372 1071217193 /nfs/dbraw/zinc/21/71/93/1071217193.db2.gz ZFJAOBIDZZDUMU-UHFFFAOYSA-N 1 2 417.576 -1.035 20 0 HAADLO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(S(N)(=O)=O)CC2)cc1 ZINC000533423668 1071217126 /nfs/dbraw/zinc/21/71/26/1071217126.db2.gz REZDACDVLGWUHJ-UHFFFAOYSA-N 1 2 419.529 -1.796 20 0 HAADLO COc1ccc(NC(=O)C[NH+](CCO)CCO)cc1S(=O)(=O)N1CCOCC1 ZINC000533424656 1071217301 /nfs/dbraw/zinc/21/73/01/1071217301.db2.gz IPBINRUFCPSLBR-UHFFFAOYSA-N 1 2 417.484 -1.059 20 0 HAADLO CC(C)(CNC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[NH+]1CCOCC1 ZINC000533424750 1071217169 /nfs/dbraw/zinc/21/71/69/1071217169.db2.gz WYMLZGAGYPAIRM-UHFFFAOYSA-N 1 2 423.514 -1.493 20 0 HAADLO CN(CC(=O)N1CCOCC1)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000533424811 1071217035 /nfs/dbraw/zinc/21/70/35/1071217035.db2.gz MDWUUEXWSSARBX-UHFFFAOYSA-N 1 2 416.486 -1.198 20 0 HAADLO C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000533642562 1071219921 /nfs/dbraw/zinc/21/99/21/1071219921.db2.gz QZRMQKANJGGLKG-CYBMUJFWSA-N 1 2 411.550 -1.761 20 0 HAADLO C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC000533642565 1071220291 /nfs/dbraw/zinc/22/02/91/1071220291.db2.gz QZRMQKANJGGLKG-ZDUSSCGKSA-N 1 2 411.550 -1.761 20 0 HAADLO COCC(=O)N(C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000533911414 1071229410 /nfs/dbraw/zinc/22/94/10/1071229410.db2.gz BGBBRFUOWKVTOW-UHFFFAOYSA-N 1 2 413.500 -1.246 20 0 HAADLO CCS(=O)(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000533911496 1070900977 /nfs/dbraw/zinc/90/09/77/1070900977.db2.gz GUYFXBVSWMOGJA-UHFFFAOYSA-N 1 2 419.529 -1.411 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@]1(O)CCOC1 ZINC000534374391 1071426352 /nfs/dbraw/zinc/42/63/52/1071426352.db2.gz BCAPYLLRUJNIQQ-KRWDZBQOSA-N 1 2 413.500 -1.016 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@]1(O)CCOC1 ZINC000534374416 1071426406 /nfs/dbraw/zinc/42/64/06/1071426406.db2.gz BCAPYLLRUJNIQQ-QGZVFWFLSA-N 1 2 413.500 -1.016 20 0 HAADLO CC(C)C(=O)NCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000534455950 1071426230 /nfs/dbraw/zinc/42/62/30/1071426230.db2.gz RYVGUNBNLMTBAL-UHFFFAOYSA-N 1 2 418.564 -1.032 20 0 HAADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H](O)C1 ZINC000534579350 1071427062 /nfs/dbraw/zinc/42/70/62/1071427062.db2.gz MNYGLEJIKKGBDL-CLLJXQQHSA-N 1 2 400.480 -1.567 20 0 HAADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C[C@H](O)C1 ZINC000534579350 1071427056 /nfs/dbraw/zinc/42/70/56/1071427056.db2.gz MNYGLEJIKKGBDL-CLLJXQQHSA-N 1 2 400.480 -1.567 20 0 HAADLO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN([C@@H](C)C(=O)NC(=O)NCC)C[C@H](O)C1 ZINC000534579350 1071427050 /nfs/dbraw/zinc/42/70/50/1071427050.db2.gz MNYGLEJIKKGBDL-CLLJXQQHSA-N 1 2 400.480 -1.567 20 0 HAADLO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN([C@@H](C)C(=O)NC(=O)NCC)C[C@H](O)C1 ZINC000534579350 1071427044 /nfs/dbraw/zinc/42/70/44/1071427044.db2.gz MNYGLEJIKKGBDL-CLLJXQQHSA-N 1 2 400.480 -1.567 20 0 HAADLO CCNC(=O)NC(=O)[C@H](C)N1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)CC(O)C1 ZINC000534579351 1071427131 /nfs/dbraw/zinc/42/71/31/1071427131.db2.gz MNYGLEJIKKGBDL-RYUDHWBXSA-N 1 2 400.480 -1.567 20 0 HAADLO CCNC(=O)NC(=O)[C@H](C)N1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)CC(O)C1 ZINC000534579351 1071427127 /nfs/dbraw/zinc/42/71/27/1071427127.db2.gz MNYGLEJIKKGBDL-RYUDHWBXSA-N 1 2 400.480 -1.567 20 0 HAADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC)CC(O)C1 ZINC000534579352 1071426938 /nfs/dbraw/zinc/42/69/38/1071426938.db2.gz MNYGLEJIKKGBDL-VXGBXAGGSA-N 1 2 400.480 -1.567 20 0 HAADLO CCNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)CC(O)C1 ZINC000534579352 1071426930 /nfs/dbraw/zinc/42/69/30/1071426930.db2.gz MNYGLEJIKKGBDL-VXGBXAGGSA-N 1 2 400.480 -1.567 20 0 HAADLO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCN([C@@H](C)C(=O)NC(=O)NC2CC2)C[C@@H](O)C1 ZINC000534581007 1071427201 /nfs/dbraw/zinc/42/72/01/1071427201.db2.gz 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/nfs/dbraw/zinc/42/71/44/1071427144.db2.gz ZTXBGJKGBXWFGC-RYUDHWBXSA-N 1 2 424.502 -1.282 20 0 HAADLO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)CC(O)C1 ZINC000534581009 1071427011 /nfs/dbraw/zinc/42/70/11/1071427011.db2.gz ZTXBGJKGBXWFGC-VXGBXAGGSA-N 1 2 424.502 -1.282 20 0 HAADLO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)CC(O)C1 ZINC000534581009 1071427003 /nfs/dbraw/zinc/42/70/03/1071427003.db2.gz ZTXBGJKGBXWFGC-VXGBXAGGSA-N 1 2 424.502 -1.282 20 0 HAADLO CNS(=O)(=O)[C@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NC)C3)[nH+]cn2)C1 ZINC000535705368 1070845183 /nfs/dbraw/zinc/84/51/83/1070845183.db2.gz ORGVPNWVLPTZKQ-RYUDHWBXSA-N 1 2 404.518 -1.268 20 0 HAADLO CNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NC)C3)[nH+]cn2)C1 ZINC000535705389 1070845058 /nfs/dbraw/zinc/84/50/58/1070845058.db2.gz ORGVPNWVLPTZKQ-TXEJJXNPSA-N 1 2 404.518 -1.268 20 0 HAADLO CNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NC)C3)nc[nH+]2)C1 ZINC000535705389 1070845032 /nfs/dbraw/zinc/84/50/32/1070845032.db2.gz ORGVPNWVLPTZKQ-TXEJJXNPSA-N 1 2 404.518 -1.268 20 0 HAADLO CNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@@H](S(=O)(=O)NC)C3)[nH+]cn2)C1 ZINC000535705393 1070844959 /nfs/dbraw/zinc/84/49/59/1070844959.db2.gz ORGVPNWVLPTZKQ-VXGBXAGGSA-N 1 2 404.518 -1.268 20 0 HAADLO COC(=O)c1cnc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000536138804 1070873151 /nfs/dbraw/zinc/87/31/51/1070873151.db2.gz BDSAHQSRUCEQFE-UHFFFAOYSA-N 1 2 412.472 -1.487 20 0 HAADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000536609034 1071207078 /nfs/dbraw/zinc/20/70/78/1071207078.db2.gz XKDOBCMUMDDTQG-CABCVRRESA-N 1 2 402.517 -1.293 20 0 HAADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000536609035 1071207862 /nfs/dbraw/zinc/20/78/62/1071207862.db2.gz XKDOBCMUMDDTQG-GJZGRUSLSA-N 1 2 402.517 -1.293 20 0 HAADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000536609036 1071208064 /nfs/dbraw/zinc/20/80/64/1071208064.db2.gz XKDOBCMUMDDTQG-HUUCEWRRSA-N 1 2 402.517 -1.293 20 0 HAADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000536609037 1071208126 /nfs/dbraw/zinc/20/81/26/1071208126.db2.gz XKDOBCMUMDDTQG-LSDHHAIUSA-N 1 2 402.517 -1.293 20 0 HAADLO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000536993447 1071223856 /nfs/dbraw/zinc/22/38/56/1071223856.db2.gz UVNKFRSIBGZIQE-UHFFFAOYSA-N 1 2 408.459 -1.531 20 0 HAADLO Cc1cc(CS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000537163498 1071224833 /nfs/dbraw/zinc/22/48/33/1071224833.db2.gz CADYSCPHVITGEF-UHFFFAOYSA-N 1 2 407.518 -1.077 20 0 HAADLO Cn1cc(S(=O)(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)c(=O)n(C)c1=O ZINC000537393707 1071226233 /nfs/dbraw/zinc/22/62/33/1071226233.db2.gz GAAHIIHVRWRFJE-UHFFFAOYSA-N 1 2 422.467 -1.911 20 0 HAADLO COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000538203537 1071263474 /nfs/dbraw/zinc/26/34/74/1071263474.db2.gz MHFDGZOXIZRTKR-UHFFFAOYSA-N 1 2 401.445 -1.289 20 0 HAADLO COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000538236225 1071264471 /nfs/dbraw/zinc/26/44/71/1071264471.db2.gz HRASTBJROKCCLZ-UHFFFAOYSA-N 1 2 406.439 -1.407 20 0 HAADLO COC[C@@H](C)NC(=O)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000538530318 1071266855 /nfs/dbraw/zinc/26/68/55/1071266855.db2.gz ARTPVSZICXOUDK-GFCCVEGCSA-N 1 2 413.431 -1.640 20 0 HAADLO COC[C@H](C)NC(=O)NC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000538530339 1071266479 /nfs/dbraw/zinc/26/64/79/1071266479.db2.gz ARTPVSZICXOUDK-LBPRGKRZSA-N 1 2 413.431 -1.640 20 0 HAADLO CC(=O)N1CCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)CC1 ZINC000538531848 1071266838 /nfs/dbraw/zinc/26/68/38/1071266838.db2.gz TZQJQSPWNQZXOF-UHFFFAOYSA-N 1 2 409.443 -1.810 20 0 HAADLO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1S(C)(=O)=O ZINC000538532344 1071266792 /nfs/dbraw/zinc/26/67/92/1071266792.db2.gz UARMAEITIAOXTF-GJZGRUSLSA-N 1 2 402.517 -1.341 20 0 HAADLO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1S(C)(=O)=O ZINC000538532355 1071266448 /nfs/dbraw/zinc/26/64/48/1071266448.db2.gz UARMAEITIAOXTF-LSDHHAIUSA-N 1 2 402.517 -1.341 20 0 HAADLO COC(=O)CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC[NH+]1CCOCC1 ZINC000538615737 1071267371 /nfs/dbraw/zinc/26/73/71/1071267371.db2.gz XHSAAJWDNFFXCJ-UHFFFAOYSA-N 1 2 408.459 -1.759 20 0 HAADLO COC(=O)C1(O)CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000538788528 1071268324 /nfs/dbraw/zinc/26/83/24/1071268324.db2.gz MOOUPJWCQXQMEU-UHFFFAOYSA-N 1 2 412.487 -2.011 20 0 HAADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000538962543 1071270260 /nfs/dbraw/zinc/27/02/60/1071270260.db2.gz ATVDODDGPZVDEJ-AWEZNQCLSA-N 1 2 403.505 -2.648 20 0 HAADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000538962543 1071270243 /nfs/dbraw/zinc/27/02/43/1071270243.db2.gz ATVDODDGPZVDEJ-AWEZNQCLSA-N 1 2 403.505 -2.648 20 0 HAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000538962544 1071270337 /nfs/dbraw/zinc/27/03/37/1071270337.db2.gz ATVDODDGPZVDEJ-CQSZACIVSA-N 1 2 403.505 -2.648 20 0 HAADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000538962544 1071270323 /nfs/dbraw/zinc/27/03/23/1071270323.db2.gz ATVDODDGPZVDEJ-CQSZACIVSA-N 1 2 403.505 -2.648 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000538968747 1071270376 /nfs/dbraw/zinc/27/03/76/1071270376.db2.gz JLFCAQSOOFMPOA-CYBMUJFWSA-N 1 2 419.486 -1.675 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)[NH+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000538968760 1071270423 /nfs/dbraw/zinc/27/04/23/1071270423.db2.gz JLFCAQSOOFMPOA-ZDUSSCGKSA-N 1 2 419.486 -1.675 20 0 HAADLO CC(=O)N1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C(C)(C)C1 ZINC000539380513 1071274499 /nfs/dbraw/zinc/27/44/99/1071274499.db2.gz NGAOVDFXIUHPKS-UHFFFAOYSA-N 1 2 409.531 -1.068 20 0 HAADLO CC(=O)N1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C(C)(C)C1 ZINC000539380513 1071274490 /nfs/dbraw/zinc/27/44/90/1071274490.db2.gz NGAOVDFXIUHPKS-UHFFFAOYSA-N 1 2 409.531 -1.068 20 0 HAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@H](C)C1 ZINC000539380527 1071274440 /nfs/dbraw/zinc/27/44/40/1071274440.db2.gz NRSXFBRGKVGWON-LLVKDONJSA-N 1 2 416.456 -1.247 20 0 HAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@H](C)C1 ZINC000539380527 1071274428 /nfs/dbraw/zinc/27/44/28/1071274428.db2.gz NRSXFBRGKVGWON-LLVKDONJSA-N 1 2 416.456 -1.247 20 0 HAADLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@@H](C)C1 ZINC000539380528 1071274332 /nfs/dbraw/zinc/27/43/32/1071274332.db2.gz NRSXFBRGKVGWON-NSHDSACASA-N 1 2 416.456 -1.247 20 0 HAADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@@H](C)C1 ZINC000539380528 1071274321 /nfs/dbraw/zinc/27/43/21/1071274321.db2.gz NRSXFBRGKVGWON-NSHDSACASA-N 1 2 416.456 -1.247 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCSC[C@@H]2C(N)=O)CC1 ZINC000540237837 1071439848 /nfs/dbraw/zinc/43/98/48/1071439848.db2.gz QPURJTPNXDOEBA-CYBMUJFWSA-N 1 2 404.500 -1.085 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCSC[C@H]2C(N)=O)CC1 ZINC000540237838 1071439812 /nfs/dbraw/zinc/43/98/12/1071439812.db2.gz QPURJTPNXDOEBA-ZDUSSCGKSA-N 1 2 404.500 -1.085 20 0 HAADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000540292931 1071441359 /nfs/dbraw/zinc/44/13/59/1071441359.db2.gz QCQNJWLEHFSEDM-UHFFFAOYSA-N 1 2 421.502 -1.438 20 0 HAADLO CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000540294705 1071440726 /nfs/dbraw/zinc/44/07/26/1071440726.db2.gz DDSBIECEDRCSRO-UHFFFAOYSA-N 1 2 408.459 -1.531 20 0 HAADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000540321462 1071441951 /nfs/dbraw/zinc/44/19/51/1071441951.db2.gz SFRAFJCGAQJHDZ-CYBMUJFWSA-N 1 2 412.534 -1.622 20 0 HAADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000540321462 1071441941 /nfs/dbraw/zinc/44/19/41/1071441941.db2.gz SFRAFJCGAQJHDZ-CYBMUJFWSA-N 1 2 412.534 -1.622 20 0 HAADLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000540321463 1071442005 /nfs/dbraw/zinc/44/20/05/1071442005.db2.gz SFRAFJCGAQJHDZ-ZDUSSCGKSA-N 1 2 412.534 -1.622 20 0 HAADLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000540321463 1071442001 /nfs/dbraw/zinc/44/20/01/1071442001.db2.gz SFRAFJCGAQJHDZ-ZDUSSCGKSA-N 1 2 412.534 -1.622 20 0 HAADLO C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](O)CC(=O)N[C@@H](C)CN1CCOCC1 ZINC000540512087 1071443582 /nfs/dbraw/zinc/44/35/82/1071443582.db2.gz AYODUDNXVDZJMF-BJWYYQGGSA-N 1 2 400.520 -1.199 20 0 HAADLO C[C@H](CN1CCOCC1)NC(=O)C[C@@H](O)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000540512087 1071443575 /nfs/dbraw/zinc/44/35/75/1071443575.db2.gz AYODUDNXVDZJMF-BJWYYQGGSA-N 1 2 400.520 -1.199 20 0 HAADLO C[C@@H](CN1CCOCC1)NC(=O)CC(O)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000540512088 1071443491 /nfs/dbraw/zinc/44/34/91/1071443491.db2.gz AYODUDNXVDZJMF-HOTGVXAUSA-N 1 2 400.520 -1.199 20 0 HAADLO C[C@H](CN1CCOCC1)NC(=O)CC(O)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000540512089 1071443546 /nfs/dbraw/zinc/44/35/46/1071443546.db2.gz AYODUDNXVDZJMF-HZPDHXFCSA-N 1 2 400.520 -1.199 20 0 HAADLO CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C[C@@H]21 ZINC000540576598 1071444307 /nfs/dbraw/zinc/44/43/07/1071444307.db2.gz DSLRIKGKOKHWAA-DLBZAZTESA-N 1 2 416.482 -1.051 20 0 HAADLO CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C[C@H]21 ZINC000540576599 1071444275 /nfs/dbraw/zinc/44/42/75/1071444275.db2.gz DSLRIKGKOKHWAA-IAGOWNOFSA-N 1 2 416.482 -1.051 20 0 HAADLO CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C[C@@H]21 ZINC000540576600 1071444215 /nfs/dbraw/zinc/44/42/15/1071444215.db2.gz DSLRIKGKOKHWAA-IRXDYDNUSA-N 1 2 416.482 -1.051 20 0 HAADLO CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C[C@H]21 ZINC000540576601 1071444923 /nfs/dbraw/zinc/44/49/23/1071444923.db2.gz DSLRIKGKOKHWAA-SJORKVTESA-N 1 2 416.482 -1.051 20 0 HAADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)cc1 ZINC000540611956 1071444884 /nfs/dbraw/zinc/44/48/84/1071444884.db2.gz HBJGYXPOBLSELQ-UHFFFAOYSA-N 1 2 406.468 -1.026 20 0 HAADLO NS(=O)(=O)c1cnn(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000540618299 1071444814 /nfs/dbraw/zinc/44/48/14/1071444814.db2.gz KLGGADIIAVUCQS-UHFFFAOYSA-N 1 2 421.483 -1.219 20 0 HAADLO Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540624671 1071445491 /nfs/dbraw/zinc/44/54/91/1071445491.db2.gz MPPHMUWNLKZHSK-GFCCVEGCSA-N 1 2 400.457 -1.102 20 0 HAADLO Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000540624672 1071445569 /nfs/dbraw/zinc/44/55/69/1071445569.db2.gz MPPHMUWNLKZHSK-LBPRGKRZSA-N 1 2 400.457 -1.102 20 0 HAADLO CC(=O)N[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1 ZINC000540728104 1071446134 /nfs/dbraw/zinc/44/61/34/1071446134.db2.gz FUIQYTIPGZUGAF-HNNXBMFYSA-N 1 2 423.470 -1.373 20 0 HAADLO CC(=O)N[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)C1 ZINC000540728108 1071446124 /nfs/dbraw/zinc/44/61/24/1071446124.db2.gz FUIQYTIPGZUGAF-OAHLLOKOSA-N 1 2 423.470 -1.373 20 0 HAADLO CC(C)(C)NC(=O)CNC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000540728829 1071446166 /nfs/dbraw/zinc/44/61/66/1071446166.db2.gz QENVZJBSLAKRNS-UHFFFAOYSA-N 1 2 411.459 -1.470 20 0 HAADLO CCCNC(=O)CN(C)C(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000540729458 1071446151 /nfs/dbraw/zinc/44/61/51/1071446151.db2.gz LGWOKQCZNIHUCP-UHFFFAOYSA-N 1 2 411.459 -1.516 20 0 HAADLO CN(Cc1cnn(C)c1)C(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000540730003 1071446181 /nfs/dbraw/zinc/44/61/81/1071446181.db2.gz LMCGNEYZCLTAMG-UHFFFAOYSA-N 1 2 406.443 -1.108 20 0 HAADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000541028571 1071449398 /nfs/dbraw/zinc/44/93/98/1071449398.db2.gz CBEVSBVIRAGQEX-KBPBESRZSA-N 1 2 412.516 -1.499 20 0 HAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000541028579 1071449512 /nfs/dbraw/zinc/44/95/12/1071449512.db2.gz CBEVSBVIRAGQEX-KGLIPLIRSA-N 1 2 412.516 -1.499 20 0 HAADLO C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)S(N)(=O)=O ZINC000541028581 1071449472 /nfs/dbraw/zinc/44/94/72/1071449472.db2.gz CBEVSBVIRAGQEX-UONOGXRCSA-N 1 2 412.516 -1.499 20 0 HAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000541028583 1071449447 /nfs/dbraw/zinc/44/94/47/1071449447.db2.gz CBEVSBVIRAGQEX-ZIAGYGMSSA-N 1 2 412.516 -1.499 20 0 HAADLO C[C@H](CNC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)S(N)(=O)=O ZINC000541030847 1071450697 /nfs/dbraw/zinc/45/06/97/1071450697.db2.gz RUDBTVCOCKGHNQ-CYBMUJFWSA-N 1 2 403.505 -2.064 20 0 HAADLO C[C@H](CNC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)S(N)(=O)=O ZINC000541030847 1071450693 /nfs/dbraw/zinc/45/06/93/1071450693.db2.gz RUDBTVCOCKGHNQ-CYBMUJFWSA-N 1 2 403.505 -2.064 20 0 HAADLO C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)S(N)(=O)=O ZINC000541030848 1071450773 /nfs/dbraw/zinc/45/07/73/1071450773.db2.gz RUDBTVCOCKGHNQ-ZDUSSCGKSA-N 1 2 403.505 -2.064 20 0 HAADLO C[C@@H](CNC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1)S(N)(=O)=O ZINC000541030848 1071450769 /nfs/dbraw/zinc/45/07/69/1071450769.db2.gz RUDBTVCOCKGHNQ-ZDUSSCGKSA-N 1 2 403.505 -2.064 20 0 HAADLO CNC(=O)[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000541059744 1071450750 /nfs/dbraw/zinc/45/07/50/1071450750.db2.gz OCTKXCLVYMPVIK-AWEZNQCLSA-N 1 2 402.459 -1.541 20 0 HAADLO CNC(=O)[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000541059753 1071450632 /nfs/dbraw/zinc/45/06/32/1071450632.db2.gz OCTKXCLVYMPVIK-CQSZACIVSA-N 1 2 402.459 -1.541 20 0 HAADLO CN(C)S(=O)(=O)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000541399317 1071453644 /nfs/dbraw/zinc/45/36/44/1071453644.db2.gz WEBXJGUPBFPCEK-UHFFFAOYSA-N 1 2 419.529 -1.459 20 0 HAADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000541580241 1071454526 /nfs/dbraw/zinc/45/45/26/1071454526.db2.gz ZEWHHVPONMDPMM-AWEZNQCLSA-N 1 2 403.549 -1.202 20 0 HAADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000541580241 1071454514 /nfs/dbraw/zinc/45/45/14/1071454514.db2.gz ZEWHHVPONMDPMM-AWEZNQCLSA-N 1 2 403.549 -1.202 20 0 HAADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000541580242 1071454675 /nfs/dbraw/zinc/45/46/75/1071454675.db2.gz ZEWHHVPONMDPMM-CQSZACIVSA-N 1 2 403.549 -1.202 20 0 HAADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000541580242 1071454669 /nfs/dbraw/zinc/45/46/69/1071454669.db2.gz ZEWHHVPONMDPMM-CQSZACIVSA-N 1 2 403.549 -1.202 20 0 HAADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)ccn2)CC1 ZINC000541668848 1071455363 /nfs/dbraw/zinc/45/53/63/1071455363.db2.gz ZYALNSPBUWSSJW-INIZCTEOSA-N 1 2 416.482 -1.049 20 0 HAADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)ccn2)CC1 ZINC000541668849 1071455199 /nfs/dbraw/zinc/45/51/99/1071455199.db2.gz ZYALNSPBUWSSJW-MRXNPFEDSA-N 1 2 416.482 -1.049 20 0 HAADLO O=C(COc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1)N1CCOCC1 ZINC000541672032 1071455460 /nfs/dbraw/zinc/45/54/60/1071455460.db2.gz RGOXOIRVFGRNBK-UHFFFAOYSA-N 1 2 420.466 -1.001 20 0 HAADLO CC[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000541774543 1071455448 /nfs/dbraw/zinc/45/54/48/1071455448.db2.gz INHMORLIDDNCCV-CABCVRRESA-N 1 2 401.533 -1.072 20 0 HAADLO CC[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000541774544 1071455435 /nfs/dbraw/zinc/45/54/35/1071455435.db2.gz INHMORLIDDNCCV-GJZGRUSLSA-N 1 2 401.533 -1.072 20 0 HAADLO CC[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000541774545 1071455253 /nfs/dbraw/zinc/45/52/53/1071455253.db2.gz INHMORLIDDNCCV-HUUCEWRRSA-N 1 2 401.533 -1.072 20 0 HAADLO CC[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000541774546 1071455471 /nfs/dbraw/zinc/45/54/71/1071455471.db2.gz INHMORLIDDNCCV-LSDHHAIUSA-N 1 2 401.533 -1.072 20 0 HAADLO C[C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000541959735 1071511430 /nfs/dbraw/zinc/51/14/30/1071511430.db2.gz IOGWYSRWVDSEBM-CYBMUJFWSA-N 1 2 415.491 -1.143 20 0 HAADLO C[C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000541959745 1071457663 /nfs/dbraw/zinc/45/76/63/1071457663.db2.gz IOGWYSRWVDSEBM-ZDUSSCGKSA-N 1 2 415.491 -1.143 20 0 HAADLO COc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000542176091 1071461296 /nfs/dbraw/zinc/46/12/96/1071461296.db2.gz JXSNXKDYJSMZBG-UHFFFAOYSA-N 1 2 419.529 -1.111 20 0 HAADLO CCN1CCN(c2nc(NCCOC)nc(N3CCN(CC)C(=O)C3)[nH+]2)CC1=O ZINC000542523546 1071477566 /nfs/dbraw/zinc/47/75/66/1071477566.db2.gz GKDKKXFOAZRWMP-UHFFFAOYSA-N 1 2 406.491 -1.311 20 0 HAADLO CCN1CCN(c2nc(NCCOC)[nH+]c(N3CCN(CC)C(=O)C3)n2)CC1=O ZINC000542523546 1071477552 /nfs/dbraw/zinc/47/75/52/1071477552.db2.gz GKDKKXFOAZRWMP-UHFFFAOYSA-N 1 2 406.491 -1.311 20 0 HAADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cn2)C[C@H](C)O1 ZINC000542597719 1071498059 /nfs/dbraw/zinc/49/80/59/1071498059.db2.gz CXLKFDLWMPKDGO-GASCZTMLSA-N 1 2 422.486 -1.406 20 0 HAADLO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cn2)C[C@H](C)O1 ZINC000542597720 1071498114 /nfs/dbraw/zinc/49/81/14/1071498114.db2.gz CXLKFDLWMPKDGO-GJZGRUSLSA-N 1 2 422.486 -1.406 20 0 HAADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cn2)C[C@@H](C)O1 ZINC000542597721 1071497856 /nfs/dbraw/zinc/49/78/56/1071497856.db2.gz CXLKFDLWMPKDGO-HUUCEWRRSA-N 1 2 422.486 -1.406 20 0 HAADLO O=C(Cn1cnc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)n1)N1CCCCCC1 ZINC000542601247 1071498943 /nfs/dbraw/zinc/49/89/43/1071498943.db2.gz PVTCAHSSWWVKIY-UHFFFAOYSA-N 1 2 407.475 -1.244 20 0 HAADLO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000542601910 1071498891 /nfs/dbraw/zinc/49/88/91/1071498891.db2.gz XUZKOFHNZAECIF-UHFFFAOYSA-N 1 2 414.484 -1.314 20 0 HAADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000542889436 1071589096 /nfs/dbraw/zinc/58/90/96/1071589096.db2.gz WBKGWQQTMCUTAQ-CYBMUJFWSA-N 1 2 405.521 -1.818 20 0 HAADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000542889436 1071589090 /nfs/dbraw/zinc/58/90/90/1071589090.db2.gz WBKGWQQTMCUTAQ-CYBMUJFWSA-N 1 2 405.521 -1.818 20 0 HAADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000542889437 1071589042 /nfs/dbraw/zinc/58/90/42/1071589042.db2.gz WBKGWQQTMCUTAQ-ZDUSSCGKSA-N 1 2 405.521 -1.818 20 0 HAADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000542889437 1071589040 /nfs/dbraw/zinc/58/90/40/1071589040.db2.gz WBKGWQQTMCUTAQ-ZDUSSCGKSA-N 1 2 405.521 -1.818 20 0 HAADLO CC(C)(C)OC(=O)CNC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC000543144571 1071599299 /nfs/dbraw/zinc/59/92/99/1071599299.db2.gz YMQFQKWWIUWRPI-UHFFFAOYSA-N 1 2 412.443 -1.043 20 0 HAADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000543441427 1071603675 /nfs/dbraw/zinc/60/36/75/1071603675.db2.gz QEFRYDNKECFMND-HNNXBMFYSA-N 1 2 417.532 -2.258 20 0 HAADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000543441427 1071603670 /nfs/dbraw/zinc/60/36/70/1071603670.db2.gz QEFRYDNKECFMND-HNNXBMFYSA-N 1 2 417.532 -2.258 20 0 HAADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000543441431 1071603652 /nfs/dbraw/zinc/60/36/52/1071603652.db2.gz QEFRYDNKECFMND-OAHLLOKOSA-N 1 2 417.532 -2.258 20 0 HAADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000543441431 1071603651 /nfs/dbraw/zinc/60/36/51/1071603651.db2.gz QEFRYDNKECFMND-OAHLLOKOSA-N 1 2 417.532 -2.258 20 0 HAADLO O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529324 1071610553 /nfs/dbraw/zinc/61/05/53/1071610553.db2.gz QAODQMYKVVTZLY-UHFFFAOYSA-N 1 2 410.496 -1.004 20 0 HAADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc(S(C)(=O)=O)c1 ZINC000544496569 1071918609 /nfs/dbraw/zinc/91/86/09/1071918609.db2.gz CEXAQUIMRSXGTA-UHFFFAOYSA-N 1 2 413.452 -1.048 20 0 HAADLO CCO[C@H]1COCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000544684597 1071921082 /nfs/dbraw/zinc/92/10/82/1071921082.db2.gz YGYYAPTVXBONDZ-CVEARBPZSA-N 1 2 419.548 -1.000 20 0 HAADLO CCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000544684598 1071920992 /nfs/dbraw/zinc/92/09/92/1071920992.db2.gz YGYYAPTVXBONDZ-HOTGVXAUSA-N 1 2 419.548 -1.000 20 0 HAADLO CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000544684599 1071920929 /nfs/dbraw/zinc/92/09/29/1071920929.db2.gz YGYYAPTVXBONDZ-HZPDHXFCSA-N 1 2 419.548 -1.000 20 0 HAADLO CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000544684600 1071921114 /nfs/dbraw/zinc/92/11/14/1071921114.db2.gz YGYYAPTVXBONDZ-JKSUJKDBSA-N 1 2 419.548 -1.000 20 0 HAADLO COC(=O)c1cn(C2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)nn1 ZINC000544761938 1071921572 /nfs/dbraw/zinc/92/15/72/1071921572.db2.gz PDYWNGBBLHXJNN-UHFFFAOYSA-N 1 2 405.415 -1.436 20 0 HAADLO Cc1nc(N2CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)cc[nH+]1 ZINC000545366232 1070904572 /nfs/dbraw/zinc/90/45/72/1070904572.db2.gz QZNPIZJAZNTIKZ-UHFFFAOYSA-N 1 2 404.518 -1.271 20 0 HAADLO COC(=O)c1cn(C2CC[NH+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)nn1 ZINC000545397990 1071928015 /nfs/dbraw/zinc/92/80/15/1071928015.db2.gz SGRUZCITUFNIEZ-JTQLQIEISA-N 1 2 419.442 -1.047 20 0 HAADLO COC(=O)c1cn(C2CC[NH+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)nn1 ZINC000545397991 1071927956 /nfs/dbraw/zinc/92/79/56/1071927956.db2.gz SGRUZCITUFNIEZ-SNVBAGLBSA-N 1 2 419.442 -1.047 20 0 HAADLO CNc1nnc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000546083998 1071935977 /nfs/dbraw/zinc/93/59/77/1071935977.db2.gz OQEWKZYVTSCCLI-UHFFFAOYSA-N 1 2 403.534 -1.241 20 0 HAADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546228431 1071938946 /nfs/dbraw/zinc/93/89/46/1071938946.db2.gz OTWKFOGNPWPPFT-JTQLQIEISA-N 1 2 421.414 -1.315 20 0 HAADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546228431 1071938939 /nfs/dbraw/zinc/93/89/39/1071938939.db2.gz OTWKFOGNPWPPFT-JTQLQIEISA-N 1 2 421.414 -1.315 20 0 HAADLO COCCn1c(N)c(C(=O)C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546228432 1071938983 /nfs/dbraw/zinc/93/89/83/1071938983.db2.gz OTWKFOGNPWPPFT-SNVBAGLBSA-N 1 2 421.414 -1.315 20 0 HAADLO COCCn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c(=O)[nH]c1=O ZINC000546228432 1071938980 /nfs/dbraw/zinc/93/89/80/1071938980.db2.gz OTWKFOGNPWPPFT-SNVBAGLBSA-N 1 2 421.414 -1.315 20 0 HAADLO COC(=O)c1cn([C@H]2CCC[N@@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546587037 1071941637 /nfs/dbraw/zinc/94/16/37/1071941637.db2.gz QVFZNAZMACOJJC-JTQLQIEISA-N 1 2 405.415 -1.436 20 0 HAADLO COC(=O)c1cn([C@H]2CCC[N@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546587037 1071941628 /nfs/dbraw/zinc/94/16/28/1071941628.db2.gz QVFZNAZMACOJJC-JTQLQIEISA-N 1 2 405.415 -1.436 20 0 HAADLO COC(=O)c1cn([C@@H]2CCC[N@@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546587038 1071941442 /nfs/dbraw/zinc/94/14/42/1071941442.db2.gz QVFZNAZMACOJJC-SNVBAGLBSA-N 1 2 405.415 -1.436 20 0 HAADLO COC(=O)c1cn([C@@H]2CCC[N@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546587038 1071941433 /nfs/dbraw/zinc/94/14/33/1071941433.db2.gz QVFZNAZMACOJJC-SNVBAGLBSA-N 1 2 405.415 -1.436 20 0 HAADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)cc[nH+]1 ZINC000546807051 1071637515 /nfs/dbraw/zinc/63/75/15/1071637515.db2.gz XWWHVTOSLLIJKM-UHFFFAOYSA-N 1 2 400.443 -0.643 20 0 HAADLO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932383 1071944488 /nfs/dbraw/zinc/94/44/88/1071944488.db2.gz BCGASZZHJNDSBT-NXEZZACHSA-N 1 2 405.415 -1.438 20 0 HAADLO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932383 1071944480 /nfs/dbraw/zinc/94/44/80/1071944480.db2.gz BCGASZZHJNDSBT-NXEZZACHSA-N 1 2 405.415 -1.438 20 0 HAADLO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932384 1071944633 /nfs/dbraw/zinc/94/46/33/1071944633.db2.gz BCGASZZHJNDSBT-UWVGGRQHSA-N 1 2 405.415 -1.438 20 0 HAADLO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932384 1071944627 /nfs/dbraw/zinc/94/46/27/1071944627.db2.gz BCGASZZHJNDSBT-UWVGGRQHSA-N 1 2 405.415 -1.438 20 0 HAADLO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932385 1071944390 /nfs/dbraw/zinc/94/43/90/1071944390.db2.gz BCGASZZHJNDSBT-VHSXEESVSA-N 1 2 405.415 -1.438 20 0 HAADLO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932385 1071944385 /nfs/dbraw/zinc/94/43/85/1071944385.db2.gz BCGASZZHJNDSBT-VHSXEESVSA-N 1 2 405.415 -1.438 20 0 HAADLO COC(=O)c1cn([C@H]2CC[N@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932386 1071944348 /nfs/dbraw/zinc/94/43/48/1071944348.db2.gz BCGASZZHJNDSBT-ZJUUUORDSA-N 1 2 405.415 -1.438 20 0 HAADLO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)nn1 ZINC000546932386 1071944340 /nfs/dbraw/zinc/94/43/40/1071944340.db2.gz BCGASZZHJNDSBT-ZJUUUORDSA-N 1 2 405.415 -1.438 20 0 HAADLO CCc1nncn1CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000547382994 1071947138 /nfs/dbraw/zinc/94/71/38/1071947138.db2.gz XRKFPJIYPAZQLU-UHFFFAOYSA-N 1 2 414.536 -1.340 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548419326 1070841431 /nfs/dbraw/zinc/84/14/31/1070841431.db2.gz HJQXAHHPHSQTRF-CYBMUJFWSA-N 1 2 411.484 -1.007 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000548419327 1070841310 /nfs/dbraw/zinc/84/13/10/1070841310.db2.gz HJQXAHHPHSQTRF-ZDUSSCGKSA-N 1 2 411.484 -1.007 20 0 HAADLO Cc1nc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sc1S(N)(=O)=O ZINC000549200990 1070904510 /nfs/dbraw/zinc/90/45/10/1070904510.db2.gz DBCWSZQCDXMVMY-UHFFFAOYSA-N 1 2 424.574 -1.287 20 0 HAADLO COC[C@H](O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549261360 1070906738 /nfs/dbraw/zinc/90/67/38/1070906738.db2.gz HQRPWLMNCYVVGN-CQSZACIVSA-N 1 2 401.489 -1.160 20 0 HAADLO Cn1cnnc1COCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000549366676 1070907832 /nfs/dbraw/zinc/90/78/32/1070907832.db2.gz WMPNQTZATUCQSN-UHFFFAOYSA-N 1 2 423.499 -1.005 20 0 HAADLO Cn1cnn(CCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000549768343 1070946512 /nfs/dbraw/zinc/94/65/12/1070946512.db2.gz UFHBNFKLRGFXEG-UHFFFAOYSA-N 1 2 423.499 -1.365 20 0 HAADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)no1 ZINC000549888803 1070955065 /nfs/dbraw/zinc/95/50/65/1070955065.db2.gz HPALVKDBWRJRFZ-UHFFFAOYSA-N 1 2 403.443 -0.531 20 0 HAADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550086929 1071049498 /nfs/dbraw/zinc/04/94/98/1071049498.db2.gz SYMVZWPONXAZFB-AWEZNQCLSA-N 1 2 401.489 -1.102 20 0 HAADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCn2cc[nH+]c2)C1 ZINC000550086935 1071049625 /nfs/dbraw/zinc/04/96/25/1071049625.db2.gz SYMVZWPONXAZFB-CQSZACIVSA-N 1 2 401.489 -1.102 20 0 HAADLO COCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550270117 1071053026 /nfs/dbraw/zinc/05/30/26/1071053026.db2.gz NVTWIAKEEFMSQY-UHFFFAOYSA-N 1 2 413.500 -1.198 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000550302059 1071060052 /nfs/dbraw/zinc/06/00/52/1071060052.db2.gz OSAFEAXYBAEJKO-INIZCTEOSA-N 1 2 406.487 -1.219 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000550302060 1071060347 /nfs/dbraw/zinc/06/03/47/1071060347.db2.gz OSAFEAXYBAEJKO-MRXNPFEDSA-N 1 2 406.487 -1.219 20 0 HAADLO CCOCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550306438 1071060153 /nfs/dbraw/zinc/06/01/53/1071060153.db2.gz ATDQBXBNQWNQDI-UHFFFAOYSA-N 1 2 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HAADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550384918 1071069909 /nfs/dbraw/zinc/06/99/09/1071069909.db2.gz BRSGMQKXLCCHNS-HZPDHXFCSA-N 1 2 410.496 -1.107 20 0 HAADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000550384919 1071069953 /nfs/dbraw/zinc/06/99/53/1071069953.db2.gz BRSGMQKXLCCHNS-JKSUJKDBSA-N 1 2 410.496 -1.107 20 0 HAADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550384919 1071069944 /nfs/dbraw/zinc/06/99/44/1071069944.db2.gz BRSGMQKXLCCHNS-JKSUJKDBSA-N 1 2 410.496 -1.107 20 0 HAADLO CC(C)Nc1nc(N2CCN(c3ncccc3C(N)=O)CC2)nc(NCCO)[nH+]1 ZINC000550388602 1071070198 /nfs/dbraw/zinc/07/01/98/1071070198.db2.gz VPGMKYSACXRRAS-UHFFFAOYSA-N 1 2 401.475 -1.240 20 0 HAADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)cn1C ZINC000550449403 1071083557 /nfs/dbraw/zinc/08/35/57/1071083557.db2.gz LFTQMIKPBVBUIT-UHFFFAOYSA-N 1 2 409.472 -1.426 20 0 HAADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550667617 1071233110 /nfs/dbraw/zinc/23/31/10/1071233110.db2.gz IABFWTFQCPANGS-KRWDZBQOSA-N 1 2 409.531 -1.118 20 0 HAADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550667618 1071233230 /nfs/dbraw/zinc/23/32/30/1071233230.db2.gz IABFWTFQCPANGS-QGZVFWFLSA-N 1 2 409.531 -1.118 20 0 HAADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550668861 1071233006 /nfs/dbraw/zinc/23/30/06/1071233006.db2.gz UWJYXXBUHYSNDP-INIZCTEOSA-N 1 2 423.514 -1.591 20 0 HAADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000550668863 1071233275 /nfs/dbraw/zinc/23/32/75/1071233275.db2.gz UWJYXXBUHYSNDP-MRXNPFEDSA-N 1 2 423.514 -1.591 20 0 HAADLO Cc1onc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000550670769 1071638002 /nfs/dbraw/zinc/63/80/02/1071638002.db2.gz KWBAVRFYRPZVIY-UHFFFAOYSA-N 1 2 414.488 -1.134 20 0 HAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000550729941 1071234856 /nfs/dbraw/zinc/23/48/56/1071234856.db2.gz GQDPNKKJGPDHOR-INIZCTEOSA-N 1 2 417.466 -1.082 20 0 HAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCO1 ZINC000550729942 1071234755 /nfs/dbraw/zinc/23/47/55/1071234755.db2.gz GQDPNKKJGPDHOR-MRXNPFEDSA-N 1 2 417.466 -1.082 20 0 HAADLO CCN(CCO)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550789615 1071237788 /nfs/dbraw/zinc/23/77/88/1071237788.db2.gz QSYKTLMRMUVFSZ-UHFFFAOYSA-N 1 2 413.500 -1.510 20 0 HAADLO COCCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799533 1071237699 /nfs/dbraw/zinc/23/76/99/1071237699.db2.gz NRHWLARWMDCJGP-UHFFFAOYSA-N 1 2 413.500 -1.246 20 0 HAADLO Cn1nccc1[C@@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC(=O)N1C ZINC000550855729 1071239243 /nfs/dbraw/zinc/23/92/43/1071239243.db2.gz MWWZHXRWAKOZEU-DOXZYTNZSA-N 1 2 418.498 -1.011 20 0 HAADLO Cn1nccc1[C@@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC(=O)N1C ZINC000550855734 1071239272 /nfs/dbraw/zinc/23/92/72/1071239272.db2.gz MWWZHXRWAKOZEU-VCBZYWHSSA-N 1 2 418.498 -1.011 20 0 HAADLO Cn1nccc1[C@H]1[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC(=O)N1C ZINC000550855736 1071239181 /nfs/dbraw/zinc/23/91/81/1071239181.db2.gz MWWZHXRWAKOZEU-YZVOILCLSA-N 1 2 418.498 -1.011 20 0 HAADLO Cn1nccc1[C@H]1[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC(=O)N1C ZINC000550855737 1071239333 /nfs/dbraw/zinc/23/93/33/1071239333.db2.gz MWWZHXRWAKOZEU-ZRGWGRIASA-N 1 2 418.498 -1.011 20 0 HAADLO COCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000551075767 1071244739 /nfs/dbraw/zinc/24/47/39/1071244739.db2.gz WIPSZJHZTLKRJW-UHFFFAOYSA-N 1 2 421.520 -2.598 20 0 HAADLO COCCOCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000551101630 1071244540 /nfs/dbraw/zinc/24/45/40/1071244540.db2.gz USPCKAWALWJMNP-UHFFFAOYSA-N 1 2 422.486 -1.259 20 0 HAADLO COCCOCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000551101630 1071244530 /nfs/dbraw/zinc/24/45/30/1071244530.db2.gz USPCKAWALWJMNP-UHFFFAOYSA-N 1 2 422.486 -1.259 20 0 HAADLO Cc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000551190303 1071247221 /nfs/dbraw/zinc/24/72/21/1071247221.db2.gz FWJLNYMUNSODLQ-UHFFFAOYSA-N 1 2 424.527 -1.357 20 0 HAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000551200377 1071248094 /nfs/dbraw/zinc/24/80/94/1071248094.db2.gz HCCYWEWCNGPRHQ-INIZCTEOSA-N 1 2 407.446 -1.223 20 0 HAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000551200378 1071248018 /nfs/dbraw/zinc/24/80/18/1071248018.db2.gz HCCYWEWCNGPRHQ-MRXNPFEDSA-N 1 2 407.446 -1.223 20 0 HAADLO COCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000551203749 1071247837 /nfs/dbraw/zinc/24/78/37/1071247837.db2.gz AHWVUZINQCOKJK-UHFFFAOYSA-N 1 2 405.503 -1.495 20 0 HAADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000551205412 1071247917 /nfs/dbraw/zinc/24/79/17/1071247917.db2.gz YPJIWWQTYRAAKE-UHFFFAOYSA-N 1 2 419.530 -1.105 20 0 HAADLO Cc1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)no1 ZINC000551215894 1071248760 /nfs/dbraw/zinc/24/87/60/1071248760.db2.gz PKPXGWHOCZOIFY-UHFFFAOYSA-N 1 2 414.488 -1.764 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000551496318 1071253057 /nfs/dbraw/zinc/25/30/57/1071253057.db2.gz INGICJYOVAPZND-CVEARBPZSA-N 1 2 406.487 -1.287 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000551496332 1071253103 /nfs/dbraw/zinc/25/31/03/1071253103.db2.gz INGICJYOVAPZND-HOTGVXAUSA-N 1 2 406.487 -1.287 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000551496333 1071252825 /nfs/dbraw/zinc/25/28/25/1071252825.db2.gz INGICJYOVAPZND-HZPDHXFCSA-N 1 2 406.487 -1.287 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000551496334 1071252935 /nfs/dbraw/zinc/25/29/35/1071252935.db2.gz INGICJYOVAPZND-JKSUJKDBSA-N 1 2 406.487 -1.287 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000551602849 1071253791 /nfs/dbraw/zinc/25/37/91/1071253791.db2.gz UQJJETXJTPBFFH-HNNXBMFYSA-N 1 2 424.502 -1.961 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000551602862 1071254436 /nfs/dbraw/zinc/25/44/36/1071254436.db2.gz UQJJETXJTPBFFH-OAHLLOKOSA-N 1 2 424.502 -1.961 20 0 HAADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000551767719 1071256821 /nfs/dbraw/zinc/25/68/21/1071256821.db2.gz SSHNKSXGZIGMGQ-UHFFFAOYSA-N 1 2 405.455 -1.027 20 0 HAADLO CCN(CCCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)S(C)(=O)=O ZINC000551858605 1071257453 /nfs/dbraw/zinc/25/74/53/1071257453.db2.gz QMGWHJQTIMOAEA-AWEZNQCLSA-N 1 2 420.532 -1.130 20 0 HAADLO CCN(CCCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)S(C)(=O)=O ZINC000551858605 1071257446 /nfs/dbraw/zinc/25/74/46/1071257446.db2.gz QMGWHJQTIMOAEA-AWEZNQCLSA-N 1 2 420.532 -1.130 20 0 HAADLO CCN(CCCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)S(C)(=O)=O ZINC000551858606 1071257390 /nfs/dbraw/zinc/25/73/90/1071257390.db2.gz QMGWHJQTIMOAEA-CQSZACIVSA-N 1 2 420.532 -1.130 20 0 HAADLO CCN(CCCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)S(C)(=O)=O ZINC000551858606 1071257384 /nfs/dbraw/zinc/25/73/84/1071257384.db2.gz QMGWHJQTIMOAEA-CQSZACIVSA-N 1 2 420.532 -1.130 20 0 HAADLO NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000552196599 1071275389 /nfs/dbraw/zinc/27/53/89/1071275389.db2.gz LSPPXPDCGJTEBZ-KRWDZBQOSA-N 1 2 420.466 -1.274 20 0 HAADLO NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000552196600 1071275247 /nfs/dbraw/zinc/27/52/47/1071275247.db2.gz LSPPXPDCGJTEBZ-QGZVFWFLSA-N 1 2 420.466 -1.274 20 0 HAADLO Cc1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000552231540 1071276097 /nfs/dbraw/zinc/27/60/97/1071276097.db2.gz GVWXOGCTYPAWFH-UHFFFAOYSA-N 1 2 414.488 -1.764 20 0 HAADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000552478949 1071276674 /nfs/dbraw/zinc/27/66/74/1071276674.db2.gz CHFABKHSVCBSAT-HNNXBMFYSA-N 1 2 416.525 -1.118 20 0 HAADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000552478949 1071276657 /nfs/dbraw/zinc/27/66/57/1071276657.db2.gz CHFABKHSVCBSAT-HNNXBMFYSA-N 1 2 416.525 -1.118 20 0 HAADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000552478950 1071276510 /nfs/dbraw/zinc/27/65/10/1071276510.db2.gz CHFABKHSVCBSAT-OAHLLOKOSA-N 1 2 416.525 -1.118 20 0 HAADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000552478950 1071276499 /nfs/dbraw/zinc/27/64/99/1071276499.db2.gz CHFABKHSVCBSAT-OAHLLOKOSA-N 1 2 416.525 -1.118 20 0 HAADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581235 1071279782 /nfs/dbraw/zinc/27/97/82/1071279782.db2.gz NNMNAIDPHBMOTE-CVEARBPZSA-N 1 2 421.498 -1.173 20 0 HAADLO C[C@H](O)CN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000552581236 1071280077 /nfs/dbraw/zinc/28/00/77/1071280077.db2.gz NNMNAIDPHBMOTE-HOTGVXAUSA-N 1 2 421.498 -1.173 20 0 HAADLO C[C@@H](O)CN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)CO ZINC000552581237 1071280044 /nfs/dbraw/zinc/28/00/44/1071280044.db2.gz NNMNAIDPHBMOTE-HZPDHXFCSA-N 1 2 421.498 -1.173 20 0 HAADLO C[C@@H](O)CN(C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CO ZINC000552581238 1071279969 /nfs/dbraw/zinc/27/99/69/1071279969.db2.gz NNMNAIDPHBMOTE-JKSUJKDBSA-N 1 2 421.498 -1.173 20 0 HAADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCC[N@@H+](C)CCOC)cn1 ZINC000552623932 1071280797 /nfs/dbraw/zinc/28/07/97/1071280797.db2.gz LUNBKRFWOHASCW-HNNXBMFYSA-N 1 2 415.516 -1.105 20 0 HAADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCC[N@H+](C)CCOC)cn1 ZINC000552623932 1071280787 /nfs/dbraw/zinc/28/07/87/1071280787.db2.gz LUNBKRFWOHASCW-HNNXBMFYSA-N 1 2 415.516 -1.105 20 0 HAADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCC[N@@H+](C)CCOC)cn1 ZINC000552623933 1071280549 /nfs/dbraw/zinc/28/05/49/1071280549.db2.gz LUNBKRFWOHASCW-OAHLLOKOSA-N 1 2 415.516 -1.105 20 0 HAADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCC[N@H+](C)CCOC)cn1 ZINC000552623933 1071280540 /nfs/dbraw/zinc/28/05/40/1071280540.db2.gz LUNBKRFWOHASCW-OAHLLOKOSA-N 1 2 415.516 -1.105 20 0 HAADLO COCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000552786096 1071282295 /nfs/dbraw/zinc/28/22/95/1071282295.db2.gz NOOJEVYFNKXTGG-UHFFFAOYSA-N 1 2 419.548 -1.444 20 0 HAADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000552918810 1071286048 /nfs/dbraw/zinc/28/60/48/1071286048.db2.gz UKKIGOSZZCGEMN-CABCVRRESA-N 1 2 413.500 -1.352 20 0 HAADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000552918810 1071286031 /nfs/dbraw/zinc/28/60/31/1071286031.db2.gz UKKIGOSZZCGEMN-CABCVRRESA-N 1 2 413.500 -1.352 20 0 HAADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000552918811 1071286317 /nfs/dbraw/zinc/28/63/17/1071286317.db2.gz UKKIGOSZZCGEMN-GJZGRUSLSA-N 1 2 413.500 -1.352 20 0 HAADLO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000552918811 1071286312 /nfs/dbraw/zinc/28/63/12/1071286312.db2.gz UKKIGOSZZCGEMN-GJZGRUSLSA-N 1 2 413.500 -1.352 20 0 HAADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cn1 ZINC000552918812 1071286177 /nfs/dbraw/zinc/28/61/77/1071286177.db2.gz UKKIGOSZZCGEMN-HUUCEWRRSA-N 1 2 413.500 -1.352 20 0 HAADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cn1 ZINC000552918812 1071286168 /nfs/dbraw/zinc/28/61/68/1071286168.db2.gz UKKIGOSZZCGEMN-HUUCEWRRSA-N 1 2 413.500 -1.352 20 0 HAADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)cn1 ZINC000552918813 1071286087 /nfs/dbraw/zinc/28/60/87/1071286087.db2.gz UKKIGOSZZCGEMN-LSDHHAIUSA-N 1 2 413.500 -1.352 20 0 HAADLO CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)cn1 ZINC000552918813 1071286076 /nfs/dbraw/zinc/28/60/76/1071286076.db2.gz UKKIGOSZZCGEMN-LSDHHAIUSA-N 1 2 413.500 -1.352 20 0 HAADLO CNC(=O)CCN(C)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924969 1071285501 /nfs/dbraw/zinc/28/55/01/1071285501.db2.gz RLAVLWAADVSIQF-UHFFFAOYSA-N 1 2 404.471 -1.169 20 0 HAADLO O=C(CCNC(=O)C(=O)N1CCn2cnnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552925006 1071285307 /nfs/dbraw/zinc/28/53/07/1071285307.db2.gz SPQUVAYZXQTSFQ-UHFFFAOYSA-N 1 2 412.454 -1.130 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000552926107 1071285337 /nfs/dbraw/zinc/28/53/37/1071285337.db2.gz VTRGDQVGFLPWJG-KRWDZBQOSA-N 1 2 424.473 -1.248 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000552926108 1071285370 /nfs/dbraw/zinc/28/53/70/1071285370.db2.gz VTRGDQVGFLPWJG-QGZVFWFLSA-N 1 2 424.473 -1.248 20 0 HAADLO CC[NH+]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000553048590 1071289143 /nfs/dbraw/zinc/28/91/43/1071289143.db2.gz REHXIXUXXNONQT-UHFFFAOYSA-N 1 2 403.487 -1.204 20 0 HAADLO Nc1nc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)nc(N2CCOCC2)n1 ZINC000553095123 1071641157 /nfs/dbraw/zinc/64/11/57/1071641157.db2.gz HFMSTAIGYZWIIZ-UHFFFAOYSA-N 1 2 403.447 -0.929 20 0 HAADLO Nc1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nc(N2CCOCC2)n1 ZINC000553127752 1071289801 /nfs/dbraw/zinc/28/98/01/1071289801.db2.gz OGXCLGGACLIKFB-CYBMUJFWSA-N 1 2 420.474 -2.047 20 0 HAADLO Nc1nc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nc(N2CCOCC2)n1 ZINC000553127753 1071289940 /nfs/dbraw/zinc/28/99/40/1071289940.db2.gz OGXCLGGACLIKFB-ZDUSSCGKSA-N 1 2 420.474 -2.047 20 0 HAADLO NC(=O)CN1CCN(c2cc(C3CC3)[nH+]c(N3CCN(CC(N)=O)CC3)n2)CC1 ZINC000553262802 1071294010 /nfs/dbraw/zinc/29/40/10/1071294010.db2.gz MZIXWBBFQSXPGK-UHFFFAOYSA-N 1 2 402.503 -1.431 20 0 HAADLO COCCNc1nc(N(C)[C@@H]2CCN(C)C2=O)[nH+]c(N(C)[C@@H]2CCN(C)C2=O)n1 ZINC000553263157 1071293948 /nfs/dbraw/zinc/29/39/48/1071293948.db2.gz HALPPQPQDUINMO-CHWSQXEVSA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N(C)[C@@H]2CCN(C)C2=O)nc(N(C)[C@@H]2CCN(C)C2=O)[nH+]1 ZINC000553263157 1071293933 /nfs/dbraw/zinc/29/39/33/1071293933.db2.gz HALPPQPQDUINMO-CHWSQXEVSA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N(C)[C@H]2CCN(C)C2=O)[nH+]c(N(C)[C@H]2CCN(C)C2=O)n1 ZINC000553263158 1071293788 /nfs/dbraw/zinc/29/37/88/1071293788.db2.gz HALPPQPQDUINMO-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N(C)[C@H]2CCN(C)C2=O)nc(N(C)[C@H]2CCN(C)C2=O)[nH+]1 ZINC000553263158 1071293772 /nfs/dbraw/zinc/29/37/72/1071293772.db2.gz HALPPQPQDUINMO-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO CC(C)Nc1nc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc(NCCO)[nH+]1 ZINC000553299355 1071293883 /nfs/dbraw/zinc/29/38/83/1071293883.db2.gz YTSJHTSWOAXWKH-UHFFFAOYSA-N 1 2 406.491 -1.789 20 0 HAADLO Cc1nn(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000553438990 1071297127 /nfs/dbraw/zinc/29/71/27/1071297127.db2.gz HVXYTJSHSHHMJX-UHFFFAOYSA-N 1 2 406.534 -1.473 20 0 HAADLO O=C(CO)N1CCN(c2nc(N3CCN(C(=O)CO)CC3)c3c([nH+]2)CCS3)CC1 ZINC000553481511 1071297152 /nfs/dbraw/zinc/29/71/52/1071297152.db2.gz KBLROGKYUZIZNF-UHFFFAOYSA-N 1 2 422.511 -1.593 20 0 HAADLO COC(=O)CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CC[NH+]1CCOCC1 ZINC000554044071 1071304691 /nfs/dbraw/zinc/30/46/91/1071304691.db2.gz PHKHDRXDHGXKHD-UHFFFAOYSA-N 1 2 422.486 -1.369 20 0 HAADLO Cc1cnccc1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000554225380 1071307789 /nfs/dbraw/zinc/30/77/89/1071307789.db2.gz ZGHJQQFRHLHXMP-UHFFFAOYSA-N 1 2 424.527 -1.357 20 0 HAADLO COC[C@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000554869817 1071315081 /nfs/dbraw/zinc/31/50/81/1071315081.db2.gz XBGPPIQDHNKAAK-AWEZNQCLSA-N 1 2 420.536 -2.043 20 0 HAADLO COC[C@@H](C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000554869818 1071315210 /nfs/dbraw/zinc/31/52/10/1071315210.db2.gz XBGPPIQDHNKAAK-CQSZACIVSA-N 1 2 420.536 -2.043 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000555568581 1071319963 /nfs/dbraw/zinc/31/99/63/1071319963.db2.gz WKJWUICIRCBMST-UHFFFAOYSA-N 1 2 411.484 -1.492 20 0 HAADLO CC(C)OCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000555610113 1071321166 /nfs/dbraw/zinc/32/11/66/1071321166.db2.gz PXKNGLIJCFHHPH-UHFFFAOYSA-N 1 2 419.548 -1.446 20 0 HAADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000555857486 1071325970 /nfs/dbraw/zinc/32/59/70/1071325970.db2.gz JNMPTGRADVJJDV-INIZCTEOSA-N 1 2 420.514 -1.098 20 0 HAADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)[NH+]1CCOCC1 ZINC000555857488 1071325782 /nfs/dbraw/zinc/32/57/82/1071325782.db2.gz JNMPTGRADVJJDV-MRXNPFEDSA-N 1 2 420.514 -1.098 20 0 HAADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555857921 1071325916 /nfs/dbraw/zinc/32/59/16/1071325916.db2.gz PVGWZKJJXXAPPW-CABCVRRESA-N 1 2 404.533 -1.000 20 0 HAADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555857923 1071325734 /nfs/dbraw/zinc/32/57/34/1071325734.db2.gz PVGWZKJJXXAPPW-GJZGRUSLSA-N 1 2 404.533 -1.000 20 0 HAADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555857924 1071325841 /nfs/dbraw/zinc/32/58/41/1071325841.db2.gz PVGWZKJJXXAPPW-HUUCEWRRSA-N 1 2 404.533 -1.000 20 0 HAADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000555857926 1071325680 /nfs/dbraw/zinc/32/56/80/1071325680.db2.gz PVGWZKJJXXAPPW-LSDHHAIUSA-N 1 2 404.533 -1.000 20 0 HAADLO CC(C)Nc1nc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc(NCCO)[nH+]1 ZINC000555893902 1071326308 /nfs/dbraw/zinc/32/63/08/1071326308.db2.gz DNTXCTVBINOQCD-UHFFFAOYSA-N 1 2 422.490 -2.553 20 0 HAADLO CSCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000555935544 1071327655 /nfs/dbraw/zinc/32/76/55/1071327655.db2.gz QNJFFQQIARHLNZ-UHFFFAOYSA-N 1 2 407.562 -1.508 20 0 HAADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000555974213 1071328255 /nfs/dbraw/zinc/32/82/55/1071328255.db2.gz QLMLATIALFQONM-HNNXBMFYSA-N 1 2 405.455 -1.693 20 0 HAADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000555974213 1071328241 /nfs/dbraw/zinc/32/82/41/1071328241.db2.gz QLMLATIALFQONM-HNNXBMFYSA-N 1 2 405.455 -1.693 20 0 HAADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)cc1 ZINC000555974214 1071328086 /nfs/dbraw/zinc/32/80/86/1071328086.db2.gz QLMLATIALFQONM-OAHLLOKOSA-N 1 2 405.455 -1.693 20 0 HAADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)cc1 ZINC000555974214 1071328072 /nfs/dbraw/zinc/32/80/72/1071328072.db2.gz QLMLATIALFQONM-OAHLLOKOSA-N 1 2 405.455 -1.693 20 0 HAADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000556113365 1071510816 /nfs/dbraw/zinc/51/08/16/1071510816.db2.gz OUQKESZPARIFQI-KRWDZBQOSA-N 1 2 406.483 -1.087 20 0 HAADLO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000556113368 1071510906 /nfs/dbraw/zinc/51/09/06/1071510906.db2.gz OUQKESZPARIFQI-QGZVFWFLSA-N 1 2 406.483 -1.087 20 0 HAADLO COCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000556141159 1071510941 /nfs/dbraw/zinc/51/09/41/1071510941.db2.gz UVCZVUXPDYNYTJ-UHFFFAOYSA-N 1 2 405.521 -1.834 20 0 HAADLO Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000556181837 1071511496 /nfs/dbraw/zinc/51/14/96/1071511496.db2.gz CBKJLNALYZTVCW-UHFFFAOYSA-N 1 2 424.527 -1.357 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CC(CO)C1 ZINC000556182581 1071512128 /nfs/dbraw/zinc/51/21/28/1071512128.db2.gz ZBQCJRJHQPGWOV-UHFFFAOYSA-N 1 2 411.484 -1.900 20 0 HAADLO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556199648 1071512750 /nfs/dbraw/zinc/51/27/50/1071512750.db2.gz RSEDCBFUEKCVGR-INIZCTEOSA-N 1 2 409.512 -1.186 20 0 HAADLO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000556199649 1071512990 /nfs/dbraw/zinc/51/29/90/1071512990.db2.gz RSEDCBFUEKCVGR-MRXNPFEDSA-N 1 2 409.512 -1.186 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000556244672 1071513018 /nfs/dbraw/zinc/51/30/18/1071513018.db2.gz GVGUZBNWNPUIPK-UHFFFAOYSA-N 1 2 401.431 -1.643 20 0 HAADLO Cc1n[nH]cc1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000556270033 1071513416 /nfs/dbraw/zinc/51/34/16/1071513416.db2.gz WKKXDULICYCVTA-UHFFFAOYSA-N 1 2 413.504 -2.029 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556280851 1071514199 /nfs/dbraw/zinc/51/41/99/1071514199.db2.gz HFQMXFAGTSWOLF-UHFFFAOYSA-N 1 2 415.458 -1.764 20 0 HAADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)Cn3cc[nH+]c3)CC2)no1 ZINC000556312266 1071513950 /nfs/dbraw/zinc/51/39/50/1071513950.db2.gz SJYSYNDZCOIMHP-CYBMUJFWSA-N 1 2 403.443 -0.533 20 0 HAADLO Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)Cn3cc[nH+]c3)CC2)no1 ZINC000556312271 1071631609 /nfs/dbraw/zinc/63/16/09/1071631609.db2.gz SJYSYNDZCOIMHP-ZDUSSCGKSA-N 1 2 403.443 -0.533 20 0 HAADLO CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000556529559 1071521696 /nfs/dbraw/zinc/52/16/96/1071521696.db2.gz DDFNVCUGMLOMNT-CABCVRRESA-N 1 2 411.503 -0.572 20 0 HAADLO CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000556529560 1071521583 /nfs/dbraw/zinc/52/15/83/1071521583.db2.gz DDFNVCUGMLOMNT-GJZGRUSLSA-N 1 2 411.503 -0.572 20 0 HAADLO CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000556529808 1071626812 /nfs/dbraw/zinc/62/68/12/1071626812.db2.gz DDFNVCUGMLOMNT-HUUCEWRRSA-N 1 2 411.503 -0.572 20 0 HAADLO CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000556529809 1071521645 /nfs/dbraw/zinc/52/16/45/1071521645.db2.gz DDFNVCUGMLOMNT-LSDHHAIUSA-N 1 2 411.503 -0.572 20 0 HAADLO COCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000556596150 1071522959 /nfs/dbraw/zinc/52/29/59/1071522959.db2.gz QAYMEZOPVFPOJC-AWEZNQCLSA-N 1 2 412.487 -1.164 20 0 HAADLO COCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000556596150 1071522955 /nfs/dbraw/zinc/52/29/55/1071522955.db2.gz QAYMEZOPVFPOJC-AWEZNQCLSA-N 1 2 412.487 -1.164 20 0 HAADLO COCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000556596159 1071523462 /nfs/dbraw/zinc/52/34/62/1071523462.db2.gz QAYMEZOPVFPOJC-CQSZACIVSA-N 1 2 412.487 -1.164 20 0 HAADLO COCC(=O)N1CCC(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000556596159 1071523456 /nfs/dbraw/zinc/52/34/56/1071523456.db2.gz QAYMEZOPVFPOJC-CQSZACIVSA-N 1 2 412.487 -1.164 20 0 HAADLO O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000556639157 1071524864 /nfs/dbraw/zinc/52/48/64/1071524864.db2.gz AXUXBPXITGGGKA-UHFFFAOYSA-N 1 2 420.470 -1.691 20 0 HAADLO CCCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000556641540 1071524811 /nfs/dbraw/zinc/52/48/11/1071524811.db2.gz NTZVYSMYOSAPRD-UHFFFAOYSA-N 1 2 419.548 -1.444 20 0 HAADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557270872 1071952173 /nfs/dbraw/zinc/95/21/73/1071952173.db2.gz FLNZDUBJERGQER-CABCVRRESA-N 1 2 416.486 -1.096 20 0 HAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557270872 1071952167 /nfs/dbraw/zinc/95/21/67/1071952167.db2.gz FLNZDUBJERGQER-CABCVRRESA-N 1 2 416.486 -1.096 20 0 HAADLO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557271151 1071952108 /nfs/dbraw/zinc/95/21/08/1071952108.db2.gz FLNZDUBJERGQER-GJZGRUSLSA-N 1 2 416.486 -1.096 20 0 HAADLO C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557271151 1071952099 /nfs/dbraw/zinc/95/20/99/1071952099.db2.gz FLNZDUBJERGQER-GJZGRUSLSA-N 1 2 416.486 -1.096 20 0 HAADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557271152 1071952357 /nfs/dbraw/zinc/95/23/57/1071952357.db2.gz FLNZDUBJERGQER-HUUCEWRRSA-N 1 2 416.486 -1.096 20 0 HAADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557271152 1071952349 /nfs/dbraw/zinc/95/23/49/1071952349.db2.gz FLNZDUBJERGQER-HUUCEWRRSA-N 1 2 416.486 -1.096 20 0 HAADLO C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557271153 1071952189 /nfs/dbraw/zinc/95/21/89/1071952189.db2.gz FLNZDUBJERGQER-LSDHHAIUSA-N 1 2 416.486 -1.096 20 0 HAADLO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000557271153 1071952182 /nfs/dbraw/zinc/95/21/82/1071952182.db2.gz FLNZDUBJERGQER-LSDHHAIUSA-N 1 2 416.486 -1.096 20 0 HAADLO CC(=O)NCCCNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557277051 1071952866 /nfs/dbraw/zinc/95/28/66/1071952866.db2.gz SBCQKEFQIVJHLQ-UHFFFAOYSA-N 1 2 404.471 -1.121 20 0 HAADLO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cn1 ZINC000557277803 1071952823 /nfs/dbraw/zinc/95/28/23/1071952823.db2.gz JGMCDSFDBNPWJX-UHFFFAOYSA-N 1 2 414.470 -1.209 20 0 HAADLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cn1 ZINC000557277803 1071952819 /nfs/dbraw/zinc/95/28/19/1071952819.db2.gz JGMCDSFDBNPWJX-UHFFFAOYSA-N 1 2 414.470 -1.209 20 0 HAADLO O=C(CCNC(=O)C(=O)N1CCn2ncnc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000557280583 1071953346 /nfs/dbraw/zinc/95/33/46/1071953346.db2.gz CCDMYMMWMNDFTN-UHFFFAOYSA-N 1 2 412.454 -1.130 20 0 HAADLO CN(CCOCCO)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557280588 1071953416 /nfs/dbraw/zinc/95/34/16/1071953416.db2.gz CDJTYTPFKIVVBP-UHFFFAOYSA-N 1 2 407.471 -1.296 20 0 HAADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000557281491 1071953373 /nfs/dbraw/zinc/95/33/73/1071953373.db2.gz HTIHCEHHKVIMFT-FQEVSTJZSA-N 1 2 416.482 -1.040 20 0 HAADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000557281492 1071953383 /nfs/dbraw/zinc/95/33/83/1071953383.db2.gz HTIHCEHHKVIMFT-HXUWFJFHSA-N 1 2 416.482 -1.040 20 0 HAADLO CCN(C)C(=O)CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000557283138 1071953405 /nfs/dbraw/zinc/95/34/05/1071953405.db2.gz WNKSZSBINCXTII-UHFFFAOYSA-N 1 2 404.471 -1.169 20 0 HAADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000557324123 1071953531 /nfs/dbraw/zinc/95/35/31/1071953531.db2.gz KUSYMKSFUMRQMV-HNNXBMFYSA-N 1 2 411.503 -1.556 20 0 HAADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000557324123 1071953526 /nfs/dbraw/zinc/95/35/26/1071953526.db2.gz KUSYMKSFUMRQMV-HNNXBMFYSA-N 1 2 411.503 -1.556 20 0 HAADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000557324130 1071953491 /nfs/dbraw/zinc/95/34/91/1071953491.db2.gz KUSYMKSFUMRQMV-OAHLLOKOSA-N 1 2 411.503 -1.556 20 0 HAADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CCO1 ZINC000557324130 1071953486 /nfs/dbraw/zinc/95/34/86/1071953486.db2.gz KUSYMKSFUMRQMV-OAHLLOKOSA-N 1 2 411.503 -1.556 20 0 HAADLO COCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557332843 1071953435 /nfs/dbraw/zinc/95/34/35/1071953435.db2.gz IHONRUFWQDGSRX-AWEZNQCLSA-N 1 2 405.521 -1.836 20 0 HAADLO COCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557332849 1071953450 /nfs/dbraw/zinc/95/34/50/1071953450.db2.gz IHONRUFWQDGSRX-CQSZACIVSA-N 1 2 405.521 -1.836 20 0 HAADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000557353671 1071954050 /nfs/dbraw/zinc/95/40/50/1071954050.db2.gz RHLGEQFWJOEMME-KRWDZBQOSA-N 1 2 421.498 -1.650 20 0 HAADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000557353672 1071954092 /nfs/dbraw/zinc/95/40/92/1071954092.db2.gz RHLGEQFWJOEMME-QGZVFWFLSA-N 1 2 421.498 -1.650 20 0 HAADLO CC(C)(C)Nc1nc(N2CCO[C@@H](C(N)=O)C2)[nH+]c(N2CCO[C@@H](C(N)=O)C2)n1 ZINC000557535700 1071955026 /nfs/dbraw/zinc/95/50/26/1071955026.db2.gz ZMHCKOBQSUINEU-GHMZBOCLSA-N 1 2 408.463 -1.537 20 0 HAADLO CC(C)(C)Nc1nc(N2CCO[C@@H](C(N)=O)C2)nc(N2CCO[C@@H](C(N)=O)C2)[nH+]1 ZINC000557535700 1071955022 /nfs/dbraw/zinc/95/50/22/1071955022.db2.gz ZMHCKOBQSUINEU-GHMZBOCLSA-N 1 2 408.463 -1.537 20 0 HAADLO CC(C)(C)Nc1nc(N2CCO[C@H](C(N)=O)C2)[nH+]c(N2CCO[C@H](C(N)=O)C2)n1 ZINC000557535702 1071955138 /nfs/dbraw/zinc/95/51/38/1071955138.db2.gz ZMHCKOBQSUINEU-QWRGUYRKSA-N 1 2 408.463 -1.537 20 0 HAADLO CC(C)(C)Nc1nc(N2CCO[C@H](C(N)=O)C2)nc(N2CCO[C@H](C(N)=O)C2)[nH+]1 ZINC000557535702 1071955128 /nfs/dbraw/zinc/95/51/28/1071955128.db2.gz ZMHCKOBQSUINEU-QWRGUYRKSA-N 1 2 408.463 -1.537 20 0 HAADLO O=C(CO)N1CCN(c2cc(N3CCN(C(=O)CO)CC3)c3ccncc3[nH+]2)CC1 ZINC000557627225 1071955841 /nfs/dbraw/zinc/95/58/41/1071955841.db2.gz GTADLECYNXNTHZ-UHFFFAOYSA-N 1 2 414.466 -1.088 20 0 HAADLO CC(C)Nc1nc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc(NCCO)[nH+]1 ZINC000557663263 1071956999 /nfs/dbraw/zinc/95/69/99/1071956999.db2.gz YKKKYRNIOJFYQI-UHFFFAOYSA-N 1 2 413.548 -1.361 20 0 HAADLO Cn1nnnc1N1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000557745739 1071957682 /nfs/dbraw/zinc/95/76/82/1071957682.db2.gz HKKKEFKQFDPDKP-AWEZNQCLSA-N 1 2 406.491 -1.524 20 0 HAADLO Cn1nnnc1N1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000557745740 1071957653 /nfs/dbraw/zinc/95/76/53/1071957653.db2.gz HKKKEFKQFDPDKP-CQSZACIVSA-N 1 2 406.491 -1.524 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000557775060 1071958680 /nfs/dbraw/zinc/95/86/80/1071958680.db2.gz NZYLLURHRXZFHE-GFCCVEGCSA-N 1 2 401.514 -1.191 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000557775063 1071958786 /nfs/dbraw/zinc/95/87/86/1071958786.db2.gz NZYLLURHRXZFHE-LBPRGKRZSA-N 1 2 401.514 -1.191 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000558011499 1071959481 /nfs/dbraw/zinc/95/94/81/1071959481.db2.gz DAMARFVKFGBQNN-CVEARBPZSA-N 1 2 408.503 -1.343 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000558011501 1071959396 /nfs/dbraw/zinc/95/93/96/1071959396.db2.gz DAMARFVKFGBQNN-HOTGVXAUSA-N 1 2 408.503 -1.343 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000558011503 1071959238 /nfs/dbraw/zinc/95/92/38/1071959238.db2.gz DAMARFVKFGBQNN-HZPDHXFCSA-N 1 2 408.503 -1.343 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000558011505 1071959444 /nfs/dbraw/zinc/95/94/44/1071959444.db2.gz DAMARFVKFGBQNN-JKSUJKDBSA-N 1 2 408.503 -1.343 20 0 HAADLO C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558021753 1071959591 /nfs/dbraw/zinc/95/95/91/1071959591.db2.gz LMWYHBFEZYPGLE-HNNXBMFYSA-N 1 2 411.547 -1.041 20 0 HAADLO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000558021755 1071959561 /nfs/dbraw/zinc/95/95/61/1071959561.db2.gz LMWYHBFEZYPGLE-OAHLLOKOSA-N 1 2 411.547 -1.041 20 0 HAADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1ccc3[nH+]ccn3c1)C2 ZINC000558679299 1071963602 /nfs/dbraw/zinc/96/36/02/1071963602.db2.gz RSJHFAQNXGDWTJ-UHFFFAOYSA-N 1 2 412.410 -1.238 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000559039576 1071633202 /nfs/dbraw/zinc/63/32/02/1071633202.db2.gz ZZNZUZXQEROZAF-CABCVRRESA-N 1 2 404.471 -0.577 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000559039580 1071633273 /nfs/dbraw/zinc/63/32/73/1071633273.db2.gz ZZNZUZXQEROZAF-GJZGRUSLSA-N 1 2 404.471 -0.577 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000559039582 1071964761 /nfs/dbraw/zinc/96/47/61/1071964761.db2.gz ZZNZUZXQEROZAF-HUUCEWRRSA-N 1 2 404.471 -0.577 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000559039585 1071964728 /nfs/dbraw/zinc/96/47/28/1071964728.db2.gz ZZNZUZXQEROZAF-LSDHHAIUSA-N 1 2 404.471 -0.577 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2CCOCC2=O)CC3)CC1 ZINC000559239551 1071965297 /nfs/dbraw/zinc/96/52/97/1071965297.db2.gz KBSHTAADQVBMIZ-HNNXBMFYSA-N 1 2 418.498 -1.192 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2CCOCC2=O)CC3)CC1 ZINC000559239554 1071965175 /nfs/dbraw/zinc/96/51/75/1071965175.db2.gz KBSHTAADQVBMIZ-OAHLLOKOSA-N 1 2 418.498 -1.192 20 0 HAADLO Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)cn1C ZINC000559347375 1071965894 /nfs/dbraw/zinc/96/58/94/1071965894.db2.gz WYLLMKJJYXTYKL-UHFFFAOYSA-N 1 2 423.499 -1.036 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392074 1071966320 /nfs/dbraw/zinc/96/63/20/1071966320.db2.gz UAJYKXFOZQXHPE-DLBZAZTESA-N 1 2 404.467 -1.023 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392074 1071966312 /nfs/dbraw/zinc/96/63/12/1071966312.db2.gz UAJYKXFOZQXHPE-DLBZAZTESA-N 1 2 404.467 -1.023 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392075 1071966296 /nfs/dbraw/zinc/96/62/96/1071966296.db2.gz UAJYKXFOZQXHPE-IAGOWNOFSA-N 1 2 404.467 -1.023 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392075 1071966281 /nfs/dbraw/zinc/96/62/81/1071966281.db2.gz UAJYKXFOZQXHPE-IAGOWNOFSA-N 1 2 404.467 -1.023 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392076 1071966245 /nfs/dbraw/zinc/96/62/45/1071966245.db2.gz UAJYKXFOZQXHPE-IRXDYDNUSA-N 1 2 404.467 -1.023 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392076 1071966236 /nfs/dbraw/zinc/96/62/36/1071966236.db2.gz UAJYKXFOZQXHPE-IRXDYDNUSA-N 1 2 404.467 -1.023 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392077 1071966346 /nfs/dbraw/zinc/96/63/46/1071966346.db2.gz UAJYKXFOZQXHPE-SJORKVTESA-N 1 2 404.467 -1.023 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCO1 ZINC000559392077 1071966341 /nfs/dbraw/zinc/96/63/41/1071966341.db2.gz UAJYKXFOZQXHPE-SJORKVTESA-N 1 2 404.467 -1.023 20 0 HAADLO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1CCOCC1 ZINC000559550228 1071967515 /nfs/dbraw/zinc/96/75/15/1071967515.db2.gz YBGMVALQYQRJIM-DLBZAZTESA-N 1 2 400.520 -1.389 20 0 HAADLO CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1CCOCC1 ZINC000559550229 1071967608 /nfs/dbraw/zinc/96/76/08/1071967608.db2.gz YBGMVALQYQRJIM-IAGOWNOFSA-N 1 2 400.520 -1.389 20 0 HAADLO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)N1CCOCC1 ZINC000559550230 1071967594 /nfs/dbraw/zinc/96/75/94/1071967594.db2.gz YBGMVALQYQRJIM-IRXDYDNUSA-N 1 2 400.520 -1.389 20 0 HAADLO CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)N1CCOCC1 ZINC000559550231 1071967411 /nfs/dbraw/zinc/96/74/11/1071967411.db2.gz YBGMVALQYQRJIM-SJORKVTESA-N 1 2 400.520 -1.389 20 0 HAADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000559552166 1071967656 /nfs/dbraw/zinc/96/76/56/1071967656.db2.gz RETKDDQHLOMOLX-CABCVRRESA-N 1 2 404.533 -1.000 20 0 HAADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000559552167 1071967578 /nfs/dbraw/zinc/96/75/78/1071967578.db2.gz RETKDDQHLOMOLX-GJZGRUSLSA-N 1 2 404.533 -1.000 20 0 HAADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000559552168 1071967448 /nfs/dbraw/zinc/96/74/48/1071967448.db2.gz RETKDDQHLOMOLX-HUUCEWRRSA-N 1 2 404.533 -1.000 20 0 HAADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000559552169 1071967424 /nfs/dbraw/zinc/96/74/24/1071967424.db2.gz RETKDDQHLOMOLX-LSDHHAIUSA-N 1 2 404.533 -1.000 20 0 HAADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000559599345 1071968192 /nfs/dbraw/zinc/96/81/92/1071968192.db2.gz KCTKDRCBLFQMHE-HNNXBMFYSA-N 1 2 404.533 -1.047 20 0 HAADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000559599347 1071968169 /nfs/dbraw/zinc/96/81/69/1071968169.db2.gz KCTKDRCBLFQMHE-OAHLLOKOSA-N 1 2 404.533 -1.047 20 0 HAADLO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000559608074 1071968605 /nfs/dbraw/zinc/96/86/05/1071968605.db2.gz VHJYXGFYVQSJJY-KRWDZBQOSA-N 1 2 418.546 -1.533 20 0 HAADLO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000559608074 1071968592 /nfs/dbraw/zinc/96/85/92/1071968592.db2.gz VHJYXGFYVQSJJY-KRWDZBQOSA-N 1 2 418.546 -1.533 20 0 HAADLO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000559608079 1071968673 /nfs/dbraw/zinc/96/86/73/1071968673.db2.gz VHJYXGFYVQSJJY-QGZVFWFLSA-N 1 2 418.546 -1.533 20 0 HAADLO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000559608079 1071968664 /nfs/dbraw/zinc/96/86/64/1071968664.db2.gz VHJYXGFYVQSJJY-QGZVFWFLSA-N 1 2 418.546 -1.533 20 0 HAADLO CN(C[C@@H](O)CN1CCOCC1)c1cncc(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000559616018 1071968747 /nfs/dbraw/zinc/96/87/47/1071968747.db2.gz GEOAFLTXYJRXHR-HDICACEKSA-N 1 2 424.546 -1.265 20 0 HAADLO CN(C[C@H](O)CN1CCOCC1)c1cncc(N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000559616018 1071968743 /nfs/dbraw/zinc/96/87/43/1071968743.db2.gz GEOAFLTXYJRXHR-HDICACEKSA-N 1 2 424.546 -1.265 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cncc(N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC000559616019 1071968773 /nfs/dbraw/zinc/96/87/73/1071968773.db2.gz GEOAFLTXYJRXHR-QZTJIDSGSA-N 1 2 424.546 -1.265 20 0 HAADLO CN(C[C@H](O)CN1CCOCC1)c1cncc(N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000559616020 1070852087 /nfs/dbraw/zinc/85/20/87/1070852087.db2.gz GEOAFLTXYJRXHR-ROUUACIJSA-N 1 2 424.546 -1.265 20 0 HAADLO CC[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559627114 1071968762 /nfs/dbraw/zinc/96/87/62/1071968762.db2.gz WLNPMEUMWAQZEA-AWEZNQCLSA-N 1 2 405.521 -1.836 20 0 HAADLO CC[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559627128 1071968820 /nfs/dbraw/zinc/96/88/20/1071968820.db2.gz WLNPMEUMWAQZEA-CQSZACIVSA-N 1 2 405.521 -1.836 20 0 HAADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000559755813 1071969953 /nfs/dbraw/zinc/96/99/53/1071969953.db2.gz PTOJRPDHFOASHF-AWEZNQCLSA-N 1 2 416.486 -1.151 20 0 HAADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000559755814 1071969919 /nfs/dbraw/zinc/96/99/19/1071969919.db2.gz PTOJRPDHFOASHF-CQSZACIVSA-N 1 2 416.486 -1.151 20 0 HAADLO C[C@@H](CO)N(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559843664 1071972087 /nfs/dbraw/zinc/97/20/87/1071972087.db2.gz BFPHKQKTGYCFHF-AWEZNQCLSA-N 1 2 413.500 -1.511 20 0 HAADLO CN(CCCO)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000559844431 1071972052 /nfs/dbraw/zinc/97/20/52/1071972052.db2.gz OXIVJOBKSLPLCS-UHFFFAOYSA-N 1 2 413.500 -1.510 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000559855536 1071972866 /nfs/dbraw/zinc/97/28/66/1071972866.db2.gz BGHYWRZZIQUFCS-KRWDZBQOSA-N 1 2 403.483 -1.102 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000559855537 1071972610 /nfs/dbraw/zinc/97/26/10/1071972610.db2.gz BGHYWRZZIQUFCS-QGZVFWFLSA-N 1 2 403.483 -1.102 20 0 HAADLO COCC[N@H+]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H]1C ZINC000559856505 1071972742 /nfs/dbraw/zinc/97/27/42/1071972742.db2.gz KVKLWBONCADNBL-KRWDZBQOSA-N 1 2 419.530 -1.106 20 0 HAADLO COCC[N@@H+]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@@H]1C ZINC000559856505 1071972733 /nfs/dbraw/zinc/97/27/33/1071972733.db2.gz KVKLWBONCADNBL-KRWDZBQOSA-N 1 2 419.530 -1.106 20 0 HAADLO COCC[N@H+]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000559856506 1071972853 /nfs/dbraw/zinc/97/28/53/1071972853.db2.gz KVKLWBONCADNBL-QGZVFWFLSA-N 1 2 419.530 -1.106 20 0 HAADLO COCC[N@@H+]1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)C[C@H]1C ZINC000559856506 1071972847 /nfs/dbraw/zinc/97/28/47/1071972847.db2.gz KVKLWBONCADNBL-QGZVFWFLSA-N 1 2 419.530 -1.106 20 0 HAADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000559923305 1071973379 /nfs/dbraw/zinc/97/33/79/1071973379.db2.gz XHYJHUDFQXLJAS-AWEZNQCLSA-N 1 2 420.532 -1.130 20 0 HAADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000559923305 1071973374 /nfs/dbraw/zinc/97/33/74/1071973374.db2.gz XHYJHUDFQXLJAS-AWEZNQCLSA-N 1 2 420.532 -1.130 20 0 HAADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000559923306 1071973421 /nfs/dbraw/zinc/97/34/21/1071973421.db2.gz XHYJHUDFQXLJAS-CQSZACIVSA-N 1 2 420.532 -1.130 20 0 HAADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000559923306 1071973419 /nfs/dbraw/zinc/97/34/19/1071973419.db2.gz XHYJHUDFQXLJAS-CQSZACIVSA-N 1 2 420.532 -1.130 20 0 HAADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000559923382 1071973402 /nfs/dbraw/zinc/97/34/02/1071973402.db2.gz BDYRXLKSZJHKHU-AWEZNQCLSA-N 1 2 408.521 -2.074 20 0 HAADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000559923383 1071973304 /nfs/dbraw/zinc/97/33/04/1071973304.db2.gz BDYRXLKSZJHKHU-CQSZACIVSA-N 1 2 408.521 -2.074 20 0 HAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000559967063 1071973851 /nfs/dbraw/zinc/97/38/51/1071973851.db2.gz ATAROQZJPBNVNL-CVEARBPZSA-N 1 2 406.487 -1.221 20 0 HAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000559967072 1071974083 /nfs/dbraw/zinc/97/40/83/1071974083.db2.gz ATAROQZJPBNVNL-HOTGVXAUSA-N 1 2 406.487 -1.221 20 0 HAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000559967074 1071973879 /nfs/dbraw/zinc/97/38/79/1071973879.db2.gz ATAROQZJPBNVNL-HZPDHXFCSA-N 1 2 406.487 -1.221 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000559967075 1071974093 /nfs/dbraw/zinc/97/40/93/1071974093.db2.gz ATAROQZJPBNVNL-JKSUJKDBSA-N 1 2 406.487 -1.221 20 0 HAADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000559970804 1070856245 /nfs/dbraw/zinc/85/62/45/1070856245.db2.gz OMXHYRSYAIDCLQ-AWEZNQCLSA-N 1 2 406.443 -2.083 20 0 HAADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000559970808 1071974039 /nfs/dbraw/zinc/97/40/39/1071974039.db2.gz OMXHYRSYAIDCLQ-CQSZACIVSA-N 1 2 406.443 -2.083 20 0 HAADLO O=C(CCNC(=O)C(=O)NC[C@H]1COCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000560242333 1071975923 /nfs/dbraw/zinc/97/59/23/1071975923.db2.gz RAXPLDQBBGNDDV-HNNXBMFYSA-N 1 2 405.455 -1.232 20 0 HAADLO O=C(CCNC(=O)C(=O)NC[C@@H]1COCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000560242336 1071975952 /nfs/dbraw/zinc/97/59/52/1071975952.db2.gz RAXPLDQBBGNDDV-OAHLLOKOSA-N 1 2 405.455 -1.232 20 0 HAADLO O=C(NC[C@H]1COCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000560251703 1071976052 /nfs/dbraw/zinc/97/60/52/1071976052.db2.gz RXJIGKPICXKBRA-HNNXBMFYSA-N 1 2 420.470 -1.507 20 0 HAADLO O=C(NC[C@H]1COCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000560251703 1071976048 /nfs/dbraw/zinc/97/60/48/1071976048.db2.gz RXJIGKPICXKBRA-HNNXBMFYSA-N 1 2 420.470 -1.507 20 0 HAADLO O=C(NC[C@@H]1COCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 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C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000563304475 1071995036 /nfs/dbraw/zinc/99/50/36/1071995036.db2.gz KHOGYFJJWROXGB-OAHLLOKOSA-N 1 2 404.471 -1.108 20 0 HAADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000563512565 1071995082 /nfs/dbraw/zinc/99/50/82/1071995082.db2.gz SFILRBGGXGQGEW-CABCVRRESA-N 1 2 404.533 -1.000 20 0 HAADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000563512566 1071995013 /nfs/dbraw/zinc/99/50/13/1071995013.db2.gz SFILRBGGXGQGEW-GJZGRUSLSA-N 1 2 404.533 -1.000 20 0 HAADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000563512567 1071994996 /nfs/dbraw/zinc/99/49/96/1071994996.db2.gz SFILRBGGXGQGEW-HUUCEWRRSA-N 1 2 404.533 -1.000 20 0 HAADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000563512568 1071995020 /nfs/dbraw/zinc/99/50/20/1071995020.db2.gz SFILRBGGXGQGEW-LSDHHAIUSA-N 1 2 404.533 -1.000 20 0 HAADLO 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C[C@@H](CNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)S(C)(=O)=O ZINC000581659173 1070835311 /nfs/dbraw/zinc/83/53/11/1070835311.db2.gz LSDOJCMBEYOHOP-NSHDSACASA-N 1 2 409.472 -1.439 20 0 HAADLO CSC1(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000581968305 1070840135 /nfs/dbraw/zinc/84/01/35/1070840135.db2.gz BMNOJASBCVXFEQ-UHFFFAOYSA-N 1 2 419.573 -1.365 20 0 HAADLO CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000582147050 1070852281 /nfs/dbraw/zinc/85/22/81/1070852281.db2.gz VVENKSQJPOOKBY-UHFFFAOYSA-N 1 2 419.486 -1.444 20 0 HAADLO CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000582147050 1070852250 /nfs/dbraw/zinc/85/22/50/1070852250.db2.gz VVENKSQJPOOKBY-UHFFFAOYSA-N 1 2 419.486 -1.444 20 0 HAADLO C[C@@H]1C[C@@H](S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000582207155 1070853073 /nfs/dbraw/zinc/85/30/73/1070853073.db2.gz NLGPKZGEAPZOKN-CABCVRRESA-N 1 2 410.562 -1.007 20 0 HAADLO C[C@H]1C[C@@H](S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000582207156 1070853455 /nfs/dbraw/zinc/85/34/55/1070853455.db2.gz NLGPKZGEAPZOKN-GJZGRUSLSA-N 1 2 410.562 -1.007 20 0 HAADLO C[C@@H]1C[C@H](S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000582207157 1070853692 /nfs/dbraw/zinc/85/36/92/1070853692.db2.gz NLGPKZGEAPZOKN-HUUCEWRRSA-N 1 2 410.562 -1.007 20 0 HAADLO C[C@H]1C[C@H](S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000582207158 1070853207 /nfs/dbraw/zinc/85/32/07/1070853207.db2.gz NLGPKZGEAPZOKN-LSDHHAIUSA-N 1 2 410.562 -1.007 20 0 HAADLO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000582374759 1070855109 /nfs/dbraw/zinc/85/51/09/1070855109.db2.gz CZBAGCNYFXBLHS-HRCADAONSA-N 1 2 404.467 -1.013 20 0 HAADLO O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000582374760 1070854985 /nfs/dbraw/zinc/85/49/85/1070854985.db2.gz CZBAGCNYFXBLHS-OAGGEKHMSA-N 1 2 404.467 -1.013 20 0 HAADLO 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CN1CCN(S(=O)(=O)N2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)CC2)CC1 ZINC000591469682 1071388713 /nfs/dbraw/zinc/38/87/13/1071388713.db2.gz SBJJCWTXIYGKLW-UHFFFAOYSA-N 1 2 416.548 -1.183 20 0 HAADLO C[C@H]1COCCN1CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000591600922 1071389893 /nfs/dbraw/zinc/38/98/93/1071389893.db2.gz KJDRSKZSBCMMDS-INIZCTEOSA-N 1 2 418.564 -1.474 20 0 HAADLO C[C@@H]1COCCN1CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000591600929 1071390194 /nfs/dbraw/zinc/39/01/94/1071390194.db2.gz KJDRSKZSBCMMDS-MRXNPFEDSA-N 1 2 418.564 -1.474 20 0 HAADLO C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591631908 1071390144 /nfs/dbraw/zinc/39/01/44/1071390144.db2.gz BTNPQNCKRSMUMU-CVEARBPZSA-N 1 2 411.503 -1.192 20 0 HAADLO C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591631909 1071390153 /nfs/dbraw/zinc/39/01/53/1071390153.db2.gz BTNPQNCKRSMUMU-HOTGVXAUSA-N 1 2 411.503 -1.192 20 0 HAADLO C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591631910 1071390099 /nfs/dbraw/zinc/39/00/99/1071390099.db2.gz BTNPQNCKRSMUMU-HZPDHXFCSA-N 1 2 411.503 -1.192 20 0 HAADLO C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000591631911 1071390053 /nfs/dbraw/zinc/39/00/53/1071390053.db2.gz BTNPQNCKRSMUMU-JKSUJKDBSA-N 1 2 411.503 -1.192 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591633977 1071389868 /nfs/dbraw/zinc/38/98/68/1071389868.db2.gz RZSATVQNYMNVHG-CVEARBPZSA-N 1 2 419.548 -1.000 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000591633978 1071390075 /nfs/dbraw/zinc/39/00/75/1071390075.db2.gz RZSATVQNYMNVHG-HOTGVXAUSA-N 1 2 419.548 -1.000 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000591633979 1071389944 /nfs/dbraw/zinc/38/99/44/1071389944.db2.gz RZSATVQNYMNVHG-HZPDHXFCSA-N 1 2 419.548 -1.000 20 0 HAADLO C[C@H]([C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[NH+]1CCOCC1 ZINC000591633980 1071389914 /nfs/dbraw/zinc/38/99/14/1071389914.db2.gz RZSATVQNYMNVHG-JKSUJKDBSA-N 1 2 419.548 -1.000 20 0 HAADLO Cn1c(=O)c2cc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)cnc2n(C)c1=O ZINC000596033172 1071638179 /nfs/dbraw/zinc/63/81/79/1071638179.db2.gz KOCUQERBKWJDHW-UHFFFAOYSA-N 1 2 413.438 -0.587 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000596165239 1071399064 /nfs/dbraw/zinc/39/90/64/1071399064.db2.gz JDMFYWPOUAXPLM-KRWDZBQOSA-N 1 2 420.514 -0.666 20 0 HAADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000596165243 1071398909 /nfs/dbraw/zinc/39/89/09/1071398909.db2.gz JDMFYWPOUAXPLM-QGZVFWFLSA-N 1 2 420.514 -0.666 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1C ZINC000596172172 1071637325 /nfs/dbraw/zinc/63/73/25/1071637325.db2.gz QBSWVBZUOJVGLA-UHFFFAOYSA-N 1 2 411.488 -0.826 20 0 HAADLO O=C(CN1CCC(=O)NC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000599507428 1071404241 /nfs/dbraw/zinc/40/42/41/1071404241.db2.gz XRRFRIQRZYMKAC-UHFFFAOYSA-N 1 2 424.483 -1.409 20 0 HAADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCCN1CCOCC1 ZINC000600493408 1071326531 /nfs/dbraw/zinc/32/65/31/1071326531.db2.gz RVIUEWXWCNXIQH-INIZCTEOSA-N 1 2 411.503 -2.268 20 0 HAADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCCN1CCOCC1 ZINC000600493414 1071325638 /nfs/dbraw/zinc/32/56/38/1071325638.db2.gz RVIUEWXWCNXIQH-MRXNPFEDSA-N 1 2 411.503 -2.268 20 0 HAADLO O=C(CN1CC(=O)NC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000600953060 1072031227 /nfs/dbraw/zinc/03/12/27/1072031227.db2.gz JIXFIAFMZUMEMC-UHFFFAOYSA-N 1 2 410.456 -1.799 20 0 HAADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 ZINC000601915410 1071399566 /nfs/dbraw/zinc/39/95/66/1071399566.db2.gz HBQNWQAMHZGCSE-UHFFFAOYSA-N 1 2 410.500 -1.124 20 0 HAADLO COC(=O)CN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000602153654 1071400178 /nfs/dbraw/zinc/40/01/78/1071400178.db2.gz GCMQUXLZHWSQIP-UHFFFAOYSA-N 1 2 416.486 -1.198 20 0 HAADLO NS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602518515 1071401114 /nfs/dbraw/zinc/40/11/14/1071401114.db2.gz BKFTYINCTCCABF-CYBMUJFWSA-N 1 2 413.504 -1.130 20 0 HAADLO NS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602518515 1071401109 /nfs/dbraw/zinc/40/11/09/1071401109.db2.gz BKFTYINCTCCABF-CYBMUJFWSA-N 1 2 413.504 -1.130 20 0 HAADLO NS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000602518534 1071401207 /nfs/dbraw/zinc/40/12/07/1071401207.db2.gz BKFTYINCTCCABF-ZDUSSCGKSA-N 1 2 413.504 -1.130 20 0 HAADLO NS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000602518534 1071401203 /nfs/dbraw/zinc/40/12/03/1071401203.db2.gz BKFTYINCTCCABF-ZDUSSCGKSA-N 1 2 413.504 -1.130 20 0 HAADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000603479766 1071402814 /nfs/dbraw/zinc/40/28/14/1071402814.db2.gz JTQWXDSYXMRMPO-CABCVRRESA-N 1 2 402.517 -1.293 20 0 HAADLO CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000603479773 1070925892 /nfs/dbraw/zinc/92/58/92/1070925892.db2.gz JTQWXDSYXMRMPO-GJZGRUSLSA-N 1 2 402.517 -1.293 20 0 HAADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000603479775 1071402913 /nfs/dbraw/zinc/40/29/13/1071402913.db2.gz JTQWXDSYXMRMPO-HUUCEWRRSA-N 1 2 402.517 -1.293 20 0 HAADLO CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000603479776 1071402848 /nfs/dbraw/zinc/40/28/48/1071402848.db2.gz JTQWXDSYXMRMPO-LSDHHAIUSA-N 1 2 402.517 -1.293 20 0 HAADLO CN(C)S(=O)(=O)N1CCN(CC[NH+]2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000604040398 1071405274 /nfs/dbraw/zinc/40/52/74/1071405274.db2.gz QTOJMTZLFUEXNP-UHFFFAOYSA-N 1 2 412.582 -2.166 20 0 HAADLO CC(C)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000604118040 1071406058 /nfs/dbraw/zinc/40/60/58/1071406058.db2.gz QAOJKDWAFLIBLJ-HNNXBMFYSA-N 1 2 416.548 -1.185 20 0 HAADLO CC(C)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000604118057 1071405937 /nfs/dbraw/zinc/40/59/37/1071405937.db2.gz QAOJKDWAFLIBLJ-OAHLLOKOSA-N 1 2 416.548 -1.185 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000604461048 1071407882 /nfs/dbraw/zinc/40/78/82/1071407882.db2.gz VDYNRNHDCOKGAR-BFHYXJOUSA-N 1 2 418.516 -1.138 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000604461048 1071407877 /nfs/dbraw/zinc/40/78/77/1071407877.db2.gz VDYNRNHDCOKGAR-BFHYXJOUSA-N 1 2 418.516 -1.138 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000604461049 1071408119 /nfs/dbraw/zinc/40/81/19/1071408119.db2.gz VDYNRNHDCOKGAR-MCIONIFRSA-N 1 2 418.516 -1.138 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000604461049 1071408116 /nfs/dbraw/zinc/40/81/16/1071408116.db2.gz VDYNRNHDCOKGAR-MCIONIFRSA-N 1 2 418.516 -1.138 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000604461050 1071408008 /nfs/dbraw/zinc/40/80/08/1071408008.db2.gz VDYNRNHDCOKGAR-MGPQQGTHSA-N 1 2 418.516 -1.138 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000604461050 1071408006 /nfs/dbraw/zinc/40/80/06/1071408006.db2.gz VDYNRNHDCOKGAR-MGPQQGTHSA-N 1 2 418.516 -1.138 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000604461051 1071407911 /nfs/dbraw/zinc/40/79/11/1071407911.db2.gz VDYNRNHDCOKGAR-MJBXVCDLSA-N 1 2 418.516 -1.138 20 0 HAADLO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000604461051 1071407905 /nfs/dbraw/zinc/40/79/05/1071407905.db2.gz VDYNRNHDCOKGAR-MJBXVCDLSA-N 1 2 418.516 -1.138 20 0 HAADLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000604903510 1071409798 /nfs/dbraw/zinc/40/97/98/1071409798.db2.gz WIZHKKFHEVZRFH-HNNXBMFYSA-N 1 2 417.532 -2.387 20 0 HAADLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000604903510 1071409794 /nfs/dbraw/zinc/40/97/94/1071409794.db2.gz WIZHKKFHEVZRFH-HNNXBMFYSA-N 1 2 417.532 -2.387 20 0 HAADLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000604903511 1071409784 /nfs/dbraw/zinc/40/97/84/1071409784.db2.gz WIZHKKFHEVZRFH-OAHLLOKOSA-N 1 2 417.532 -2.387 20 0 HAADLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000604903511 1071409779 /nfs/dbraw/zinc/40/97/79/1071409779.db2.gz WIZHKKFHEVZRFH-OAHLLOKOSA-N 1 2 417.532 -2.387 20 0 HAADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000605163218 1071410580 /nfs/dbraw/zinc/41/05/80/1071410580.db2.gz HCYACADVMGUPRU-AWEZNQCLSA-N 1 2 422.511 -1.032 20 0 HAADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000605163219 1071410685 /nfs/dbraw/zinc/41/06/85/1071410685.db2.gz HCYACADVMGUPRU-CQSZACIVSA-N 1 2 422.511 -1.032 20 0 HAADLO O=C(Cn1nnc2ccccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378598 1071413049 /nfs/dbraw/zinc/41/30/49/1071413049.db2.gz FRZSOIUXPLRYCC-AWEZNQCLSA-N 1 2 400.439 -1.159 20 0 HAADLO O=C(Cn1nnc2ccccc2c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378599 1071413114 /nfs/dbraw/zinc/41/31/14/1071413114.db2.gz FRZSOIUXPLRYCC-CQSZACIVSA-N 1 2 400.439 -1.159 20 0 HAADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378696 1071412999 /nfs/dbraw/zinc/41/29/99/1071412999.db2.gz KNSPCWROXOVPLT-CABCVRRESA-N 1 2 402.517 -1.150 20 0 HAADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378697 1071413072 /nfs/dbraw/zinc/41/30/72/1071413072.db2.gz KNSPCWROXOVPLT-GJZGRUSLSA-N 1 2 402.517 -1.150 20 0 HAADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378698 1071413143 /nfs/dbraw/zinc/41/31/43/1071413143.db2.gz KNSPCWROXOVPLT-HUUCEWRRSA-N 1 2 402.517 -1.150 20 0 HAADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378699 1071413170 /nfs/dbraw/zinc/41/31/70/1071413170.db2.gz KNSPCWROXOVPLT-LSDHHAIUSA-N 1 2 402.517 -1.150 20 0 HAADLO C[C@H](C(=O)N(C)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1cccn1 ZINC000605378778 1071412302 /nfs/dbraw/zinc/41/23/02/1071412302.db2.gz OHPAIDHACDVIRR-CVEARBPZSA-N 1 2 406.487 -1.048 20 0 HAADLO C[C@@H](C(=O)N(C)CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1cccn1 ZINC000605378779 1071412374 /nfs/dbraw/zinc/41/23/74/1071412374.db2.gz OHPAIDHACDVIRR-HOTGVXAUSA-N 1 2 406.487 -1.048 20 0 HAADLO C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1cccn1 ZINC000605378780 1071412121 /nfs/dbraw/zinc/41/21/21/1071412121.db2.gz OHPAIDHACDVIRR-HZPDHXFCSA-N 1 2 406.487 -1.048 20 0 HAADLO C[C@@H](C(=O)N(C)CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1cccn1 ZINC000605378781 1071412456 /nfs/dbraw/zinc/41/24/56/1071412456.db2.gz OHPAIDHACDVIRR-JKSUJKDBSA-N 1 2 406.487 -1.048 20 0 HAADLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378882 1071412354 /nfs/dbraw/zinc/41/23/54/1071412354.db2.gz UHZIPGPZRCVCSD-AWEZNQCLSA-N 1 2 402.455 -1.077 20 0 HAADLO Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378883 1071412253 /nfs/dbraw/zinc/41/22/53/1071412253.db2.gz UHZIPGPZRCVCSD-CQSZACIVSA-N 1 2 402.455 -1.077 20 0 HAADLO Cn1ncc2c1ncn(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)c2=O ZINC000605378974 1071412101 /nfs/dbraw/zinc/41/21/01/1071412101.db2.gz ZGMIBFIPXBZACW-CYBMUJFWSA-N 1 2 403.443 -1.821 20 0 HAADLO Cn1ncc2c1ncn(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)c2=O ZINC000605378975 1071412209 /nfs/dbraw/zinc/41/22/09/1071412209.db2.gz ZGMIBFIPXBZACW-ZDUSSCGKSA-N 1 2 403.443 -1.821 20 0 HAADLO C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000605440788 1071414035 /nfs/dbraw/zinc/41/40/35/1071414035.db2.gz POZOSUNXKLGXNL-AUUYWEPGSA-N 1 2 407.471 -1.244 20 0 HAADLO 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20 0 HAADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000621640661 1071553261 /nfs/dbraw/zinc/55/32/61/1071553261.db2.gz ABLZLTYIRJJXBT-HNNXBMFYSA-N 1 2 421.498 -1.884 20 0 HAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000622973390 1071556309 /nfs/dbraw/zinc/55/63/09/1071556309.db2.gz GFHQVYCBZDBHCJ-HNNXBMFYSA-N 1 2 403.439 -1.275 20 0 HAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000622973391 1071556277 /nfs/dbraw/zinc/55/62/77/1071556277.db2.gz GFHQVYCBZDBHCJ-OAHLLOKOSA-N 1 2 403.439 -1.275 20 0 HAADLO CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000623014625 1071556337 /nfs/dbraw/zinc/55/63/37/1071556337.db2.gz JJKXRFPAXFHKNN-HNNXBMFYSA-N 1 2 402.517 -1.339 20 0 HAADLO CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000623014626 1070901099 /nfs/dbraw/zinc/90/10/99/1070901099.db2.gz JJKXRFPAXFHKNN-OAHLLOKOSA-N 1 2 402.517 -1.339 20 0 HAADLO NS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000628471294 1072039327 /nfs/dbraw/zinc/03/93/27/1072039327.db2.gz ATIAWOACMPFUBP-UHFFFAOYSA-N 1 2 411.528 -1.044 20 0 HAADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000630343566 1072040109 /nfs/dbraw/zinc/04/01/09/1072040109.db2.gz RCERHJXKFZYTOY-AWEZNQCLSA-N 1 2 404.471 -1.646 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000635529443 1072041301 /nfs/dbraw/zinc/04/13/01/1072041301.db2.gz HWGVOVDOUWASKB-UHFFFAOYSA-N 1 2 420.455 -1.728 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000642187829 1072043135 /nfs/dbraw/zinc/04/31/35/1072043135.db2.gz WXHKHWJAYHEGQC-UHFFFAOYSA-N 1 2 422.574 -1.151 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000642187829 1072043127 /nfs/dbraw/zinc/04/31/27/1072043127.db2.gz WXHKHWJAYHEGQC-UHFFFAOYSA-N 1 2 422.574 -1.151 20 0 HAADLO O=S(=O)(CCNS(=O)(=O)N1CCOCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000642376589 1072044956 /nfs/dbraw/zinc/04/49/56/1072044956.db2.gz IRSNKGWGNROLLT-UHFFFAOYSA-N 1 2 419.529 -1.300 20 0 HAADLO Cn1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)[nH]c1=O ZINC000643181643 1070921445 /nfs/dbraw/zinc/92/14/45/1070921445.db2.gz JCRLODCPJUXHMM-UHFFFAOYSA-N 1 2 422.467 -1.237 20 0 HAADLO CN(C[C@H](O)CO)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@H](O)CO)[N@H+]1Cc1ccccc1 ZINC000644051561 1072045874 /nfs/dbraw/zinc/04/58/74/1072045874.db2.gz MGUYVTUMEQLDLG-CADBVGFASA-N 1 2 423.510 -1.357 20 0 HAADLO CN(C[C@H](O)CO)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@H](O)CO)[N@@H+]1Cc1ccccc1 ZINC000644051561 1072045864 /nfs/dbraw/zinc/04/58/64/1072045864.db2.gz MGUYVTUMEQLDLG-CADBVGFASA-N 1 2 423.510 -1.357 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646617706 1072047747 /nfs/dbraw/zinc/04/77/47/1072047747.db2.gz AQCRRMAPBDGHTK-GFCCVEGCSA-N 1 2 408.488 -1.073 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 ZINC000646617707 1072047707 /nfs/dbraw/zinc/04/77/07/1072047707.db2.gz AQCRRMAPBDGHTK-LBPRGKRZSA-N 1 2 408.488 -1.073 20 0 HAADLO CCS(=O)(=O)N[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000646661777 1072048241 /nfs/dbraw/zinc/04/82/41/1072048241.db2.gz GKLBHBPDCFFFER-CYBMUJFWSA-N 1 2 411.550 -2.049 20 0 HAADLO CCS(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000646661778 1072048428 /nfs/dbraw/zinc/04/84/28/1072048428.db2.gz GKLBHBPDCFFFER-ZDUSSCGKSA-N 1 2 411.550 -2.049 20 0 HAADLO CCC[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC000646662332 1072048295 /nfs/dbraw/zinc/04/82/95/1072048295.db2.gz QWJWILQLBGRSPX-CYBMUJFWSA-N 1 2 411.550 -1.920 20 0 HAADLO CCC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)S(N)(=O)=O ZINC000646662333 1072048201 /nfs/dbraw/zinc/04/82/01/1072048201.db2.gz QWJWILQLBGRSPX-ZDUSSCGKSA-N 1 2 411.550 -1.920 20 0 HAADLO NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000646823576 1072048862 /nfs/dbraw/zinc/04/88/62/1072048862.db2.gz HVYSLMWBOXWGCI-KBPBESRZSA-N 1 2 403.505 -2.049 20 0 HAADLO NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000646823577 1071470584 /nfs/dbraw/zinc/47/05/84/1071470584.db2.gz HVYSLMWBOXWGCI-KGLIPLIRSA-N 1 2 403.505 -2.049 20 0 HAADLO NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000646823578 1072048954 /nfs/dbraw/zinc/04/89/54/1072048954.db2.gz HVYSLMWBOXWGCI-UONOGXRCSA-N 1 2 403.505 -2.049 20 0 HAADLO NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000646823579 1072048989 /nfs/dbraw/zinc/04/89/89/1072048989.db2.gz HVYSLMWBOXWGCI-ZIAGYGMSSA-N 1 2 403.505 -2.049 20 0 HAADLO Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000646823749 1072048974 /nfs/dbraw/zinc/04/89/74/1072048974.db2.gz OVIHJBXPVVGVFJ-CYBMUJFWSA-N 1 2 411.484 -1.149 20 0 HAADLO Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000646823750 1072048834 /nfs/dbraw/zinc/04/88/34/1072048834.db2.gz OVIHJBXPVVGVFJ-ZDUSSCGKSA-N 1 2 411.484 -1.149 20 0 HAADLO Cc1nc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C(=O)NCCO)n1C ZINC000647620484 1070901618 /nfs/dbraw/zinc/90/16/18/1070901618.db2.gz OEZDEXUJJGVCTJ-AWEZNQCLSA-N 1 2 422.486 -1.430 20 0 HAADLO Cc1nc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C(=O)NCCO)n1C ZINC000647620485 1072049513 /nfs/dbraw/zinc/04/95/13/1072049513.db2.gz OEZDEXUJJGVCTJ-CQSZACIVSA-N 1 2 422.486 -1.430 20 0 HAADLO Cn1ccc(=O)n(CCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000647634564 1072049546 /nfs/dbraw/zinc/04/95/46/1072049546.db2.gz JFCQKHIIFGIPDV-HNNXBMFYSA-N 1 2 407.471 -1.766 20 0 HAADLO Cn1ccc(=O)n(CCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000647634569 1072049333 /nfs/dbraw/zinc/04/93/33/1072049333.db2.gz JFCQKHIIFGIPDV-OAHLLOKOSA-N 1 2 407.471 -1.766 20 0 HAADLO O=C(C(=O)N1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1)N1CCOCC1 ZINC000648028596 1072050741 /nfs/dbraw/zinc/05/07/41/1072050741.db2.gz 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-1.541 20 0 HAADLO CCC[N@@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000669942424 1071466350 /nfs/dbraw/zinc/46/63/50/1071466350.db2.gz BSCLDGISNVOYQL-MRXNPFEDSA-N 1 2 423.514 -1.541 20 0 HAADLO CCC[N@H+](CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000669942424 1071466345 /nfs/dbraw/zinc/46/63/45/1071466345.db2.gz BSCLDGISNVOYQL-MRXNPFEDSA-N 1 2 423.514 -1.541 20 0 HAADLO COCCN1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC000669945290 1071466222 /nfs/dbraw/zinc/46/62/22/1071466222.db2.gz FLYHNVFGSIWFBU-UHFFFAOYSA-N 1 2 402.459 -1.240 20 0 HAADLO CCN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000670049784 1071472958 /nfs/dbraw/zinc/47/29/58/1071472958.db2.gz VGYJTOYANVQUQQ-AWEZNQCLSA-N 1 2 402.521 -1.573 20 0 HAADLO CCN1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000670049785 1071473350 /nfs/dbraw/zinc/47/33/50/1071473350.db2.gz VGYJTOYANVQUQQ-CQSZACIVSA-N 1 2 402.521 -1.573 20 0 HAADLO CNC(=O)NC1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000670240028 1071551064 /nfs/dbraw/zinc/55/10/64/1071551064.db2.gz XAVGVVIAZRDILD-UHFFFAOYSA-N 1 2 403.443 -1.453 20 0 HAADLO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000670423477 1071506257 /nfs/dbraw/zinc/50/62/57/1071506257.db2.gz OUKITJDERZADAW-OAHLLOKOSA-N 1 2 424.527 -1.105 20 0 HAADLO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000670547748 1071517845 /nfs/dbraw/zinc/51/78/45/1071517845.db2.gz VDDFQYOYQWWZOM-HNNXBMFYSA-N 1 2 424.527 -1.105 20 0 HAADLO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccccn1 ZINC000670547749 1071517681 /nfs/dbraw/zinc/51/76/81/1071517681.db2.gz VDDFQYOYQWWZOM-OAHLLOKOSA-N 1 2 424.527 -1.105 20 0 HAADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000670639631 1071532020 /nfs/dbraw/zinc/53/20/20/1071532020.db2.gz SEICECXBFREPMI-UHFFFAOYSA-N 1 2 413.504 -2.364 20 0 HAADLO CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCOCC1 ZINC000670813529 1071541945 /nfs/dbraw/zinc/54/19/45/1071541945.db2.gz BIXOFEKMXCJDBT-CABCVRRESA-N 1 2 404.533 -1.000 20 0 HAADLO CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O)[NH+]1CCOCC1 ZINC000670813530 1071541847 /nfs/dbraw/zinc/54/18/47/1071541847.db2.gz BIXOFEKMXCJDBT-HUUCEWRRSA-N 1 2 404.533 -1.000 20 0 HAADLO CCOCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000670852638 1071544257 /nfs/dbraw/zinc/54/42/57/1071544257.db2.gz CMLDEWYBIQSJRS-UHFFFAOYSA-N 1 2 413.500 -1.198 20 0 HAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000671058947 1071549376 /nfs/dbraw/zinc/54/93/76/1071549376.db2.gz DTQQUBCLSUDIPA-UHFFFAOYSA-N 1 2 423.539 -1.068 20 0 HAADLO C[C@H](O)CN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060076 1071549454 /nfs/dbraw/zinc/54/94/54/1071549454.db2.gz NYPJMUGJBFQHIV-AWEZNQCLSA-N 1 2 413.500 -1.511 20 0 HAADLO C[C@@H](O)CN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671060077 1071550117 /nfs/dbraw/zinc/55/01/17/1071550117.db2.gz NYPJMUGJBFQHIV-CQSZACIVSA-N 1 2 413.500 -1.511 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCOC1 ZINC000671060112 1071550144 /nfs/dbraw/zinc/55/01/44/1071550144.db2.gz WZTZHZSBDMSZNP-AWEZNQCLSA-N 1 2 411.484 -1.445 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCOC1 ZINC000671060113 1071550016 /nfs/dbraw/zinc/55/00/16/1071550016.db2.gz WZTZHZSBDMSZNP-CQSZACIVSA-N 1 2 411.484 -1.445 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000671117916 1071552401 /nfs/dbraw/zinc/55/24/01/1071552401.db2.gz YLCQDMYJMAVWCY-UHFFFAOYSA-N 1 2 412.516 -1.307 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000671349407 1071559782 /nfs/dbraw/zinc/55/97/82/1071559782.db2.gz PTDLKBCGEPORIM-UHFFFAOYSA-N 1 2 400.505 -1.527 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000671356144 1071582893 /nfs/dbraw/zinc/58/28/93/1071582893.db2.gz ALGQQWLGERQWIF-AWEZNQCLSA-N 1 2 412.516 -1.191 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000671356145 1071583443 /nfs/dbraw/zinc/58/34/43/1071583443.db2.gz ALGQQWLGERQWIF-CQSZACIVSA-N 1 2 412.516 -1.191 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000671356599 1071563408 /nfs/dbraw/zinc/56/34/08/1071563408.db2.gz LWAAKZGDQAYLDW-UHFFFAOYSA-N 1 2 412.516 -1.191 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000671356602 1071563262 /nfs/dbraw/zinc/56/32/62/1071563262.db2.gz LYANUJYGWNXEQW-UHFFFAOYSA-N 1 2 412.516 -1.191 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000671356602 1071563253 /nfs/dbraw/zinc/56/32/53/1071563253.db2.gz LYANUJYGWNXEQW-UHFFFAOYSA-N 1 2 412.516 -1.191 20 0 HAADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671356827 1071562226 /nfs/dbraw/zinc/56/22/26/1071562226.db2.gz BQQHBWZIZHHNQE-UHFFFAOYSA-N 1 2 419.548 -2.140 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000671358109 1071563720 /nfs/dbraw/zinc/56/37/20/1071563720.db2.gz IVHBSZGCTUPUSR-UHFFFAOYSA-N 1 2 412.516 -1.260 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671358119 1071563902 /nfs/dbraw/zinc/56/39/02/1071563902.db2.gz JFBKVEVTNLVVTC-UHFFFAOYSA-N 1 2 423.539 -1.188 20 0 HAADLO COCC[NH+]1CCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671358383 1071584822 /nfs/dbraw/zinc/58/48/22/1071584822.db2.gz NRHRQQGLXKTVIM-UHFFFAOYSA-N 1 2 405.521 -2.530 20 0 HAADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671358517 1071567864 /nfs/dbraw/zinc/56/78/64/1071567864.db2.gz QTWCGSJQFIEOCY-KRWDZBQOSA-N 1 2 423.539 -1.017 20 0 HAADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671358517 1071567858 /nfs/dbraw/zinc/56/78/58/1071567858.db2.gz QTWCGSJQFIEOCY-KRWDZBQOSA-N 1 2 423.539 -1.017 20 0 HAADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671358520 1071567904 /nfs/dbraw/zinc/56/79/04/1071567904.db2.gz QTWCGSJQFIEOCY-QGZVFWFLSA-N 1 2 423.539 -1.017 20 0 HAADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000671358520 1071567899 /nfs/dbraw/zinc/56/78/99/1071567899.db2.gz QTWCGSJQFIEOCY-QGZVFWFLSA-N 1 2 423.539 -1.017 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000671358721 1071585392 /nfs/dbraw/zinc/58/53/92/1071585392.db2.gz VPJDRWYKCGDRDV-UHFFFAOYSA-N 1 2 408.484 -1.356 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000671358853 1071566717 /nfs/dbraw/zinc/56/67/17/1071566717.db2.gz ZRJOEDKVJDAIKE-HNNXBMFYSA-N 1 2 412.516 -1.260 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000671358854 1071564411 /nfs/dbraw/zinc/56/44/11/1071564411.db2.gz ZRJOEDKVJDAIKE-OAHLLOKOSA-N 1 2 412.516 -1.260 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000671358867 1071566731 /nfs/dbraw/zinc/56/67/31/1071566731.db2.gz GAEXGDPEKMBZDQ-HNNXBMFYSA-N 1 2 424.527 -1.530 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000671358868 1071567316 /nfs/dbraw/zinc/56/73/16/1071567316.db2.gz GAEXGDPEKMBZDQ-OAHLLOKOSA-N 1 2 424.527 -1.530 20 0 HAADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000671359321 1071568517 /nfs/dbraw/zinc/56/85/17/1071568517.db2.gz PQHKVJCOZOPOJZ-UHFFFAOYSA-N 1 2 424.527 -1.576 20 0 HAADLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359614 1071568978 /nfs/dbraw/zinc/56/89/78/1071568978.db2.gz WIDTUOYHFCLUJC-UHFFFAOYSA-N 1 2 400.505 -1.575 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000671395532 1071570426 /nfs/dbraw/zinc/57/04/26/1071570426.db2.gz XWGWNGZELNEJOP-UHFFFAOYSA-N 1 2 412.454 -1.524 20 0 HAADLO Cc1occc1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000671410322 1071570341 /nfs/dbraw/zinc/57/03/41/1071570341.db2.gz ZQRHCKGCYOKTNM-UHFFFAOYSA-N 1 2 413.500 -1.159 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671977358 1071584089 /nfs/dbraw/zinc/58/40/89/1071584089.db2.gz NTEBBSOMAJDYCJ-CVEARBPZSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671977358 1071584083 /nfs/dbraw/zinc/58/40/83/1071584083.db2.gz NTEBBSOMAJDYCJ-CVEARBPZSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671977359 1071583989 /nfs/dbraw/zinc/58/39/89/1071583989.db2.gz NTEBBSOMAJDYCJ-HOTGVXAUSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671977359 1071583977 /nfs/dbraw/zinc/58/39/77/1071583977.db2.gz NTEBBSOMAJDYCJ-HOTGVXAUSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671977360 1071584295 /nfs/dbraw/zinc/58/42/95/1071584295.db2.gz NTEBBSOMAJDYCJ-HZPDHXFCSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671977360 1071584293 /nfs/dbraw/zinc/58/42/93/1071584293.db2.gz NTEBBSOMAJDYCJ-HZPDHXFCSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671977361 1071583918 /nfs/dbraw/zinc/58/39/18/1071583918.db2.gz NTEBBSOMAJDYCJ-JKSUJKDBSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671977361 1071583913 /nfs/dbraw/zinc/58/39/13/1071583913.db2.gz NTEBBSOMAJDYCJ-JKSUJKDBSA-N 1 2 411.503 -2.175 20 0 HAADLO C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998049 1071584845 /nfs/dbraw/zinc/58/48/45/1071584845.db2.gz IZVLOBHOFDZMTQ-HNNXBMFYSA-N 1 2 416.482 -1.027 20 0 HAADLO C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000671998050 1071584743 /nfs/dbraw/zinc/58/47/43/1071584743.db2.gz IZVLOBHOFDZMTQ-OAHLLOKOSA-N 1 2 416.482 -1.027 20 0 HAADLO CCN1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000671998096 1071584799 /nfs/dbraw/zinc/58/47/99/1071584799.db2.gz OILSVKSVXORFHZ-UHFFFAOYSA-N 1 2 416.482 -1.073 20 0 HAADLO O=C(CCNC(=O)C(=O)N1CC[NH+](C2CC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000672062004 1071587312 /nfs/dbraw/zinc/58/73/12/1071587312.db2.gz XOXSUGVWCGPLHP-UHFFFAOYSA-N 1 2 415.498 -1.062 20 0 HAADLO Cc1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000672541143 1071593188 /nfs/dbraw/zinc/59/31/88/1071593188.db2.gz VYFGHWIONOSFEW-UHFFFAOYSA-N 1 2 413.504 -2.029 20 0 HAADLO Cc1cc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000672541143 1071593178 /nfs/dbraw/zinc/59/31/78/1071593178.db2.gz VYFGHWIONOSFEW-UHFFFAOYSA-N 1 2 413.504 -2.029 20 0 HAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672598435 1071593830 /nfs/dbraw/zinc/59/38/30/1071593830.db2.gz JDKSEAYEPHEYEI-CABCVRRESA-N 1 2 402.517 -1.246 20 0 HAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000672598436 1071593625 /nfs/dbraw/zinc/59/36/25/1071593625.db2.gz JDKSEAYEPHEYEI-GJZGRUSLSA-N 1 2 402.517 -1.246 20 0 HAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672598437 1071593807 /nfs/dbraw/zinc/59/38/07/1071593807.db2.gz JDKSEAYEPHEYEI-HUUCEWRRSA-N 1 2 402.517 -1.246 20 0 HAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000672598438 1071593643 /nfs/dbraw/zinc/59/36/43/1071593643.db2.gz JDKSEAYEPHEYEI-LSDHHAIUSA-N 1 2 402.517 -1.246 20 0 HAADLO C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000672795567 1071596754 /nfs/dbraw/zinc/59/67/54/1071596754.db2.gz SHWFMLTYBDHUTJ-AWEZNQCLSA-N 1 2 401.533 -1.072 20 0 HAADLO C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000672795571 1071596875 /nfs/dbraw/zinc/59/68/75/1071596875.db2.gz SHWFMLTYBDHUTJ-CQSZACIVSA-N 1 2 401.533 -1.072 20 0 HAADLO CC(C)OCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000673007836 1071597529 /nfs/dbraw/zinc/59/75/29/1071597529.db2.gz OKWJGBSLYJEORF-UHFFFAOYSA-N 1 2 405.521 -1.836 20 0 HAADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2=O)cn1 ZINC000673059267 1071598262 /nfs/dbraw/zinc/59/82/62/1071598262.db2.gz DTIZFNVNEDNEBP-CVEARBPZSA-N 1 2 404.471 -1.035 20 0 HAADLO Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2=O)cn1 ZINC000673059268 1071598219 /nfs/dbraw/zinc/59/82/19/1071598219.db2.gz DTIZFNVNEDNEBP-HOTGVXAUSA-N 1 2 404.471 -1.035 20 0 HAADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C2=O)cn1 ZINC000673059269 1071598087 /nfs/dbraw/zinc/59/80/87/1071598087.db2.gz DTIZFNVNEDNEBP-HZPDHXFCSA-N 1 2 404.471 -1.035 20 0 HAADLO Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C2=O)cn1 ZINC000673059270 1071598136 /nfs/dbraw/zinc/59/81/36/1071598136.db2.gz DTIZFNVNEDNEBP-JKSUJKDBSA-N 1 2 404.471 -1.035 20 0 HAADLO COC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000673145203 1071598266 /nfs/dbraw/zinc/59/82/66/1071598266.db2.gz WWRQESYMMXRBAM-HNNXBMFYSA-N 1 2 419.548 -1.590 20 0 HAADLO COC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000673145204 1071598255 /nfs/dbraw/zinc/59/82/55/1071598255.db2.gz WWRQESYMMXRBAM-OAHLLOKOSA-N 1 2 419.548 -1.590 20 0 HAADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000673284887 1071599268 /nfs/dbraw/zinc/59/92/68/1071599268.db2.gz NSZKBODRDXLVCC-INIZCTEOSA-N 1 2 412.454 -1.353 20 0 HAADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000673284887 1071599264 /nfs/dbraw/zinc/59/92/64/1071599264.db2.gz NSZKBODRDXLVCC-INIZCTEOSA-N 1 2 412.454 -1.353 20 0 HAADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000673284896 1071599107 /nfs/dbraw/zinc/59/91/07/1071599107.db2.gz NSZKBODRDXLVCC-MRXNPFEDSA-N 1 2 412.454 -1.353 20 0 HAADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000673284896 1071599093 /nfs/dbraw/zinc/59/90/93/1071599093.db2.gz NSZKBODRDXLVCC-MRXNPFEDSA-N 1 2 412.454 -1.353 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300004 1071599167 /nfs/dbraw/zinc/59/91/67/1071599167.db2.gz AUJGCKWSXICRLK-AWEZNQCLSA-N 1 2 413.442 -1.866 20 0 HAADLO O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673300005 1071599246 /nfs/dbraw/zinc/59/92/46/1071599246.db2.gz AUJGCKWSXICRLK-CQSZACIVSA-N 1 2 413.442 -1.866 20 0 HAADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302729 1071599226 /nfs/dbraw/zinc/59/92/26/1071599226.db2.gz VBXNWDLAENOSQK-HNNXBMFYSA-N 1 2 414.466 -1.274 20 0 HAADLO O=C(NC1CC1)C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673302730 1071599067 /nfs/dbraw/zinc/59/90/67/1071599067.db2.gz VBXNWDLAENOSQK-OAHLLOKOSA-N 1 2 414.466 -1.274 20 0 HAADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000673332356 1071599278 /nfs/dbraw/zinc/59/92/78/1071599278.db2.gz CDVDDYLMPFUDFV-CABCVRRESA-N 1 2 422.486 -1.898 20 0 HAADLO Cc1cc(N2CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000673332357 1071599038 /nfs/dbraw/zinc/59/90/38/1071599038.db2.gz CDVDDYLMPFUDFV-GJZGRUSLSA-N 1 2 422.486 -1.898 20 0 HAADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000673332358 1071599205 /nfs/dbraw/zinc/59/92/05/1071599205.db2.gz CDVDDYLMPFUDFV-HUUCEWRRSA-N 1 2 422.486 -1.898 20 0 HAADLO Cc1cc(N2CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2=O)n(C)n1 ZINC000673332359 1071599217 /nfs/dbraw/zinc/59/92/17/1071599217.db2.gz CDVDDYLMPFUDFV-LSDHHAIUSA-N 1 2 422.486 -1.898 20 0 HAADLO COCCNc1nc(N2CC[C@H](CC(N)=O)C2)[nH+]c(N2CC[C@H](CC(N)=O)C2)n1 ZINC000673490973 1071602480 /nfs/dbraw/zinc/60/24/80/1071602480.db2.gz KOGKWUZPMZSVGP-CHWSQXEVSA-N 1 2 406.491 -1.245 20 0 HAADLO COCCNc1nc(N2CC[C@@H](CC(N)=O)C2)[nH+]c(N2CC[C@@H](CC(N)=O)C2)n1 ZINC000673490974 1071602414 /nfs/dbraw/zinc/60/24/14/1071602414.db2.gz KOGKWUZPMZSVGP-STQMWFEESA-N 1 2 406.491 -1.245 20 0 HAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000673501280 1071603018 /nfs/dbraw/zinc/60/30/18/1071603018.db2.gz VKGIUPVYHFBNQI-HNNXBMFYSA-N 1 2 406.487 -1.182 20 0 HAADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000673501281 1071603006 /nfs/dbraw/zinc/60/30/06/1071603006.db2.gz VKGIUPVYHFBNQI-OAHLLOKOSA-N 1 2 406.487 -1.182 20 0 HAADLO CC(C)Cn1c(N)c(C(=O)CN(C)CC(=O)N2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000673826494 1071608182 /nfs/dbraw/zinc/60/81/82/1071608182.db2.gz JUWVBUSLYGJDAH-UHFFFAOYSA-N 1 2 408.503 -1.326 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000674383656 1071613029 /nfs/dbraw/zinc/61/30/29/1071613029.db2.gz CPIXJIIXLXNBHE-INIZCTEOSA-N 1 2 410.475 -1.101 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000674383657 1071612932 /nfs/dbraw/zinc/61/29/32/1071612932.db2.gz CPIXJIIXLXNBHE-MRXNPFEDSA-N 1 2 410.475 -1.101 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000674386624 1071612977 /nfs/dbraw/zinc/61/29/77/1071612977.db2.gz OFPVVJSQTHYYET-HNNXBMFYSA-N 1 2 410.475 -1.101 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000674386625 1071613048 /nfs/dbraw/zinc/61/30/48/1071613048.db2.gz OFPVVJSQTHYYET-OAHLLOKOSA-N 1 2 410.475 -1.101 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000674396319 1071613077 /nfs/dbraw/zinc/61/30/77/1071613077.db2.gz OGUBQWQIXAJZEU-HNNXBMFYSA-N 1 2 407.537 -2.102 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000674396320 1071612835 /nfs/dbraw/zinc/61/28/35/1071612835.db2.gz OGUBQWQIXAJZEU-OAHLLOKOSA-N 1 2 407.537 -2.102 20 0 HAADLO COCCN(C(=O)C[N@@H+]1C[C@H](O)C[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000674465722 1071614696 /nfs/dbraw/zinc/61/46/96/1071614696.db2.gz SIQHHZPYAKDVPJ-BETUJISGSA-N 1 2 413.475 -1.406 20 0 HAADLO COCCN(C(=O)C[N@H+]1C[C@H](O)C[C@H](O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000674465722 1071614692 /nfs/dbraw/zinc/61/46/92/1071614692.db2.gz SIQHHZPYAKDVPJ-BETUJISGSA-N 1 2 413.475 -1.406 20 0 HAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000674496119 1071615291 /nfs/dbraw/zinc/61/52/91/1071615291.db2.gz RUQNQLPOCQCLES-IYBDPMFKSA-N 1 2 413.496 -1.249 20 0 HAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000674496119 1071615289 /nfs/dbraw/zinc/61/52/89/1071615289.db2.gz RUQNQLPOCQCLES-IYBDPMFKSA-N 1 2 413.496 -1.249 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(=O)[nH]c1=O ZINC000674497160 1071615904 /nfs/dbraw/zinc/61/59/04/1071615904.db2.gz HTQOWYJFVRDODX-BETUJISGSA-N 1 2 413.475 -1.262 20 0 HAADLO CCCCn1c(N)c(N(CCOC)C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)c(=O)[nH]c1=O ZINC000674497160 1071615897 /nfs/dbraw/zinc/61/58/97/1071615897.db2.gz HTQOWYJFVRDODX-BETUJISGSA-N 1 2 413.475 -1.262 20 0 HAADLO O=C(CN1C[C@H](O)C[C@H](O)C1)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674498210 1071615838 /nfs/dbraw/zinc/61/58/38/1071615838.db2.gz OSEKCZGCMJMMHO-GEEKYZPCSA-N 1 2 400.476 -3.488 20 0 HAADLO O=C(CN1C[C@H](O)C[C@H](O)C1)N1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000674498210 1071615833 /nfs/dbraw/zinc/61/58/33/1071615833.db2.gz OSEKCZGCMJMMHO-GEEKYZPCSA-N 1 2 400.476 -3.488 20 0 HAADLO O=C(C[N@@H+]1C[C@H](O)C[C@H](O)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000674498998 1071615853 /nfs/dbraw/zinc/61/58/53/1071615853.db2.gz WBXOXVWLAFHNBV-IYBDPMFKSA-N 1 2 413.496 -1.249 20 0 HAADLO O=C(C[N@H+]1C[C@H](O)C[C@H](O)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000674498998 1071615850 /nfs/dbraw/zinc/61/58/50/1071615850.db2.gz WBXOXVWLAFHNBV-IYBDPMFKSA-N 1 2 413.496 -1.249 20 0 HAADLO CCN1C(=O)[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501364 1071615328 /nfs/dbraw/zinc/61/53/28/1071615328.db2.gz KLNKSLVYJWOORV-HNNXBMFYSA-N 1 2 423.495 -1.039 20 0 HAADLO CCN1C(=O)[C@@H]2C[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501364 1071615324 /nfs/dbraw/zinc/61/53/24/1071615324.db2.gz KLNKSLVYJWOORV-HNNXBMFYSA-N 1 2 423.495 -1.039 20 0 HAADLO CCN1C(=O)[C@H]2C[N@@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501367 1071615283 /nfs/dbraw/zinc/61/52/83/1071615283.db2.gz KLNKSLVYJWOORV-OAHLLOKOSA-N 1 2 423.495 -1.039 20 0 HAADLO CCN1C(=O)[C@H]2C[N@H+](CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501367 1071615280 /nfs/dbraw/zinc/61/52/80/1071615280.db2.gz KLNKSLVYJWOORV-OAHLLOKOSA-N 1 2 423.495 -1.039 20 0 HAADLO CN(CCN1CCCS1(=O)=O)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674520521 1071615795 /nfs/dbraw/zinc/61/57/95/1071615795.db2.gz GEVJZHQEOTXUKN-HNNXBMFYSA-N 1 2 402.517 -1.339 20 0 HAADLO CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000674520522 1071615925 /nfs/dbraw/zinc/61/59/25/1071615925.db2.gz GEVJZHQEOTXUKN-OAHLLOKOSA-N 1 2 402.517 -1.339 20 0 HAADLO CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000674545594 1071615952 /nfs/dbraw/zinc/61/59/52/1071615952.db2.gz XTIGIJJTRZMAML-CABCVRRESA-N 1 2 407.471 -1.338 20 0 HAADLO CCN1C(=O)[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000674545595 1071615944 /nfs/dbraw/zinc/61/59/44/1071615944.db2.gz XTIGIJJTRZMAML-GJZGRUSLSA-N 1 2 407.471 -1.338 20 0 HAADLO CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000674545596 1071615970 /nfs/dbraw/zinc/61/59/70/1071615970.db2.gz XTIGIJJTRZMAML-HUUCEWRRSA-N 1 2 407.471 -1.338 20 0 HAADLO CCN1C(=O)[C@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000674545597 1071615805 /nfs/dbraw/zinc/61/58/05/1071615805.db2.gz XTIGIJJTRZMAML-LSDHHAIUSA-N 1 2 407.471 -1.338 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676248282 1071622025 /nfs/dbraw/zinc/62/20/25/1071622025.db2.gz AVXPRZNJSMPWHT-CVEARBPZSA-N 1 2 418.564 -1.475 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676248282 1071622022 /nfs/dbraw/zinc/62/20/22/1071622022.db2.gz AVXPRZNJSMPWHT-CVEARBPZSA-N 1 2 418.564 -1.475 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676248283 1071621991 /nfs/dbraw/zinc/62/19/91/1071621991.db2.gz AVXPRZNJSMPWHT-HOTGVXAUSA-N 1 2 418.564 -1.475 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676248283 1071621987 /nfs/dbraw/zinc/62/19/87/1071621987.db2.gz AVXPRZNJSMPWHT-HOTGVXAUSA-N 1 2 418.564 -1.475 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676248284 1071622126 /nfs/dbraw/zinc/62/21/26/1071622126.db2.gz AVXPRZNJSMPWHT-HZPDHXFCSA-N 1 2 418.564 -1.475 20 0 HAADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676248284 1071622122 /nfs/dbraw/zinc/62/21/22/1071622122.db2.gz AVXPRZNJSMPWHT-HZPDHXFCSA-N 1 2 418.564 -1.475 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676248285 1071622099 /nfs/dbraw/zinc/62/20/99/1071622099.db2.gz AVXPRZNJSMPWHT-JKSUJKDBSA-N 1 2 418.564 -1.475 20 0 HAADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676248285 1071622093 /nfs/dbraw/zinc/62/20/93/1071622093.db2.gz AVXPRZNJSMPWHT-JKSUJKDBSA-N 1 2 418.564 -1.475 20 0 HAADLO O=C(COCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000676390073 1071622740 /nfs/dbraw/zinc/62/27/40/1071622740.db2.gz UHTVMHQUFTZFMP-QZTJIDSGSA-N 1 2 410.515 -1.131 20 0 HAADLO O=C(COCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1CCN([C@H]2CCOC2)CC1 ZINC000676390074 1071622733 /nfs/dbraw/zinc/62/27/33/1071622733.db2.gz UHTVMHQUFTZFMP-ROUUACIJSA-N 1 2 410.515 -1.131 20 0 HAADLO O=C(CN1CCN(C(=O)C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)CC1)N1CCOCC1 ZINC000676655746 1071623901 /nfs/dbraw/zinc/62/39/01/1071623901.db2.gz HULOUXNTMPYCOP-UHFFFAOYSA-N 1 2 421.502 -1.307 20 0 HAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000676739132 1071623884 /nfs/dbraw/zinc/62/38/84/1071623884.db2.gz MXRAZADFAUXYTA-AWEZNQCLSA-N 1 2 403.549 -1.331 20 0 HAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000676739132 1071623879 /nfs/dbraw/zinc/62/38/79/1071623879.db2.gz MXRAZADFAUXYTA-AWEZNQCLSA-N 1 2 403.549 -1.331 20 0 HAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000676739133 1071623970 /nfs/dbraw/zinc/62/39/70/1071623970.db2.gz MXRAZADFAUXYTA-CQSZACIVSA-N 1 2 403.549 -1.331 20 0 HAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000676739133 1071623966 /nfs/dbraw/zinc/62/39/66/1071623966.db2.gz MXRAZADFAUXYTA-CQSZACIVSA-N 1 2 403.549 -1.331 20 0 HAADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000676739254 1071623847 /nfs/dbraw/zinc/62/38/47/1071623847.db2.gz GUDIWKPPAHWQAX-HNNXBMFYSA-N 1 2 417.532 -2.387 20 0 HAADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000676739254 1071623841 /nfs/dbraw/zinc/62/38/41/1071623841.db2.gz GUDIWKPPAHWQAX-HNNXBMFYSA-N 1 2 417.532 -2.387 20 0 HAADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000676739255 1071623935 /nfs/dbraw/zinc/62/39/35/1071623935.db2.gz GUDIWKPPAHWQAX-OAHLLOKOSA-N 1 2 417.532 -2.387 20 0 HAADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000676739255 1071623929 /nfs/dbraw/zinc/62/39/29/1071623929.db2.gz GUDIWKPPAHWQAX-OAHLLOKOSA-N 1 2 417.532 -2.387 20 0 HAADLO Cc1nnc2n1C[C@@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000676798034 1072068364 /nfs/dbraw/zinc/06/83/64/1072068364.db2.gz VNKSUKWNGTVGEU-HNNXBMFYSA-N 1 2 411.532 -1.215 20 0 HAADLO Cc1nnc2n1C[C@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)CC2 ZINC000676798035 1072068313 /nfs/dbraw/zinc/06/83/13/1072068313.db2.gz VNKSUKWNGTVGEU-OAHLLOKOSA-N 1 2 411.532 -1.215 20 0 HAADLO C[C@H]1CC(=O)NCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@@H]2C)CC1 ZINC000677714982 1072069800 /nfs/dbraw/zinc/06/98/00/1072069800.db2.gz CYCBZGCJUJIIOG-HOTGVXAUSA-N 1 2 422.530 -1.922 20 0 HAADLO C[C@H]1CC(=O)NCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2C)CC1 ZINC000677714982 1072069795 /nfs/dbraw/zinc/06/97/95/1072069795.db2.gz CYCBZGCJUJIIOG-HOTGVXAUSA-N 1 2 422.530 -1.922 20 0 HAADLO C[C@@H]1CC(=O)NCCN1CC(=O)N1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@H]2C)CC1 ZINC000677714983 1072069901 /nfs/dbraw/zinc/06/99/01/1072069901.db2.gz CYCBZGCJUJIIOG-HZPDHXFCSA-N 1 2 422.530 -1.922 20 0 HAADLO C[C@@H]1CC(=O)NCCN1CC(=O)N1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@H]2C)CC1 ZINC000677714983 1072069895 /nfs/dbraw/zinc/06/98/95/1072069895.db2.gz CYCBZGCJUJIIOG-HZPDHXFCSA-N 1 2 422.530 -1.922 20 0 HAADLO O=C(CO)N1CCN(c2nc(N3CCN(C(=O)CO)CC3)c(C3CC3)c[nH+]2)CC1 ZINC000678068581 1072070363 /nfs/dbraw/zinc/07/03/63/1072070363.db2.gz HKOBGAWTDVWXTB-UHFFFAOYSA-N 1 2 404.471 -1.364 20 0 HAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)CO)CC2)CC1 ZINC000678116573 1072070428 /nfs/dbraw/zinc/07/04/28/1072070428.db2.gz GAPIYESPLQNUSI-UHFFFAOYSA-N 1 2 417.466 -1.324 20 0 HAADLO Cn1nnnc1CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000678502754 1072070980 /nfs/dbraw/zinc/07/09/80/1072070980.db2.gz RNZWUCVEHNTOFC-UHFFFAOYSA-N 1 2 423.503 -1.401 20 0 HAADLO Cn1nnnc1CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000678508275 1072071089 /nfs/dbraw/zinc/07/10/89/1072071089.db2.gz DRGVGLCURZKJGJ-UHFFFAOYSA-N 1 2 402.463 -1.089 20 0 HAADLO Cn1nnnc1CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000678508275 1072071085 /nfs/dbraw/zinc/07/10/85/1072071085.db2.gz DRGVGLCURZKJGJ-UHFFFAOYSA-N 1 2 402.463 -1.089 20 0 HAADLO NS(=O)(=O)CCN1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000678659337 1072071103 /nfs/dbraw/zinc/07/11/03/1072071103.db2.gz ICRPRYUMQFVMFV-UHFFFAOYSA-N 1 2 415.520 -1.347 20 0 HAADLO NS(=O)(=O)CCN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000678662616 1072071490 /nfs/dbraw/zinc/07/14/90/1072071490.db2.gz QYQWTVKSDDWKOM-UHFFFAOYSA-N 1 2 415.520 -1.347 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000678680908 1072071472 /nfs/dbraw/zinc/07/14/72/1072071472.db2.gz DIKYCSUCZNYTHR-UHFFFAOYSA-N 1 2 421.502 -1.614 20 0 HAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)N2CCOCC2)CC1 ZINC000678970450 1072072554 /nfs/dbraw/zinc/07/25/54/1072072554.db2.gz FPEOCLMJAHMJSE-UHFFFAOYSA-N 1 2 417.466 -1.012 20 0 HAADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000679743919 1072074401 /nfs/dbraw/zinc/07/44/01/1072074401.db2.gz SZYKNHZKWLZTGP-UHFFFAOYSA-N 1 2 416.482 -1.439 20 0 HAADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000679807920 1072074831 /nfs/dbraw/zinc/07/48/31/1072074831.db2.gz NYEPBGUCBLQFLJ-INIZCTEOSA-N 1 2 417.466 -1.014 20 0 HAADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCO1 ZINC000679807922 1072074778 /nfs/dbraw/zinc/07/47/78/1072074778.db2.gz 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C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685175691 1070870916 /nfs/dbraw/zinc/87/09/16/1070870916.db2.gz OITZRICTXSJGKM-BMFZPTHFSA-N 1 2 422.486 -1.818 20 0 HAADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685175692 1070870984 /nfs/dbraw/zinc/87/09/84/1070870984.db2.gz OITZRICTXSJGKM-FVQBIDKESA-N 1 2 422.486 -1.818 20 0 HAADLO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685175693 1070870748 /nfs/dbraw/zinc/87/07/48/1070870748.db2.gz OITZRICTXSJGKM-KBMXLJTQSA-N 1 2 422.486 -1.818 20 0 HAADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C(=O)N1c1cnn(C)c1 ZINC000685175694 1070871066 /nfs/dbraw/zinc/87/10/66/1070871066.db2.gz OITZRICTXSJGKM-VNQPRFMTSA-N 1 2 422.486 -1.818 20 0 HAADLO C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685294193 1070876670 /nfs/dbraw/zinc/87/66/70/1070876670.db2.gz AGCFYKUCNFZTCE-CABCVRRESA-N 1 2 410.562 -1.149 20 0 HAADLO C[C@H]1COCC[C@@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685294194 1070876936 /nfs/dbraw/zinc/87/69/36/1070876936.db2.gz AGCFYKUCNFZTCE-GJZGRUSLSA-N 1 2 410.562 -1.149 20 0 HAADLO C[C@@H]1COCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685294195 1070877575 /nfs/dbraw/zinc/87/75/75/1070877575.db2.gz AGCFYKUCNFZTCE-HUUCEWRRSA-N 1 2 410.562 -1.149 20 0 HAADLO C[C@H]1COCC[C@H]1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685294196 1070877640 /nfs/dbraw/zinc/87/76/40/1070877640.db2.gz AGCFYKUCNFZTCE-LSDHHAIUSA-N 1 2 410.562 -1.149 20 0 HAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000685329501 1070880212 /nfs/dbraw/zinc/88/02/12/1070880212.db2.gz FWTNNHQOWWDNPV-HNNXBMFYSA-N 1 2 402.517 -1.293 20 0 HAADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000685329502 1070880585 /nfs/dbraw/zinc/88/05/85/1070880585.db2.gz FWTNNHQOWWDNPV-OAHLLOKOSA-N 1 2 402.517 -1.293 20 0 HAADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685359189 1070885228 /nfs/dbraw/zinc/88/52/28/1070885228.db2.gz RJHYJNNCWHIPRA-HNNXBMFYSA-N 1 2 404.471 -1.683 20 0 HAADLO O=C(CN1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000685359190 1070885378 /nfs/dbraw/zinc/88/53/78/1070885378.db2.gz RJHYJNNCWHIPRA-OAHLLOKOSA-N 1 2 404.471 -1.683 20 0 HAADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000685403021 1070886081 /nfs/dbraw/zinc/88/60/81/1070886081.db2.gz JDTHLYUQZVATRB-CABCVRRESA-N 1 2 402.517 -1.150 20 0 HAADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000685403022 1070885809 /nfs/dbraw/zinc/88/58/09/1070885809.db2.gz JDTHLYUQZVATRB-HUUCEWRRSA-N 1 2 402.517 -1.150 20 0 HAADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000726251917 1072087082 /nfs/dbraw/zinc/08/70/82/1072087082.db2.gz ARHRWSKHLXBZER-HNNXBMFYSA-N 1 2 405.521 -1.389 20 0 HAADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 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/nfs/dbraw/zinc/08/75/38/1072087538.db2.gz OOYVWIWFRWALSD-UHFFFAOYSA-N 1 2 402.521 -1.274 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000726820006 1072087837 /nfs/dbraw/zinc/08/78/37/1072087837.db2.gz DXQLYYUVOZFHKT-UHFFFAOYSA-N 1 2 415.410 -1.392 20 0 HAADLO CC(C)NC(=O)CNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000727275792 1071645830 /nfs/dbraw/zinc/64/58/30/1071645830.db2.gz YGHQTDYUFGHOOR-UHFFFAOYSA-N 1 2 406.578 -1.505 20 0 HAADLO COCCS(=O)(=O)CCCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000727932821 1071646479 /nfs/dbraw/zinc/64/64/79/1071646479.db2.gz CTPOCFLYNJXILX-UHFFFAOYSA-N 1 2 412.578 -1.453 20 0 HAADLO CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000727939327 1071646503 /nfs/dbraw/zinc/64/65/03/1071646503.db2.gz YNGMVCBPNYKVSI-UHFFFAOYSA-N 1 2 411.550 -1.760 20 0 HAADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCCO)CC2)c(=O)n(C)c1=O ZINC000728915379 1070941448 /nfs/dbraw/zinc/94/14/48/1070941448.db2.gz CMFHFOJBNBZKJO-UHFFFAOYSA-N 1 2 409.487 -1.212 20 0 HAADLO Cn1c(=O)c2cc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)cnc2n(C)c1=O ZINC000731650169 1071648955 /nfs/dbraw/zinc/64/89/55/1071648955.db2.gz GZLADLZMBHIXLR-UHFFFAOYSA-N 1 2 423.495 -1.129 20 0 HAADLO Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)nc2n(C)c1=O ZINC000731651239 1071648972 /nfs/dbraw/zinc/64/89/72/1071648972.db2.gz ZWLDWJQBQOUTGC-UHFFFAOYSA-N 1 2 423.495 -1.129 20 0 HAADLO CCNC(=O)CN1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731685884 1071648945 /nfs/dbraw/zinc/64/89/45/1071648945.db2.gz FDGDMFSQLGGCRQ-UHFFFAOYSA-N 1 2 403.549 -1.041 20 0 HAADLO CN(C(=O)CCn1cc[nH]c(=O)c1=O)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000733152005 1071654013 /nfs/dbraw/zinc/65/40/13/1071654013.db2.gz PCRAWRNQNLLEAI-UHFFFAOYSA-N 1 2 420.514 -1.377 20 0 HAADLO COC[C@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000733291565 1071653999 /nfs/dbraw/zinc/65/39/99/1071653999.db2.gz JEYKJMDJAHXHJP-INIZCTEOSA-N 1 2 418.520 -1.989 20 0 HAADLO COC[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000733291568 1071654053 /nfs/dbraw/zinc/65/40/53/1071654053.db2.gz JEYKJMDJAHXHJP-MRXNPFEDSA-N 1 2 418.520 -1.989 20 0 HAADLO CCOC(=O)C1=C(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)NC(=O)N[C@@H]1C ZINC000734837600 1071658129 /nfs/dbraw/zinc/65/81/29/1071658129.db2.gz KSPHMKIDNMVCBS-BNOWGMLFSA-N 1 2 416.500 -1.408 20 0 HAADLO CCOC(=O)C1=C(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)NC(=O)N[C@H]1C ZINC000734838001 1071658622 /nfs/dbraw/zinc/65/86/22/1071658622.db2.gz KSPHMKIDNMVCBS-IACUBPJLSA-N 1 2 416.500 -1.408 20 0 HAADLO CCOC(=O)C1=C(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)NC(=O)N[C@@H]1C ZINC000734838002 1071658655 /nfs/dbraw/zinc/65/86/55/1071658655.db2.gz KSPHMKIDNMVCBS-MRVWCRGKSA-N 1 2 416.500 -1.408 20 0 HAADLO CCOC(=O)C1=C(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)NC(=O)N[C@H]1C ZINC000734838003 1071658834 /nfs/dbraw/zinc/65/88/34/1071658834.db2.gz KSPHMKIDNMVCBS-YUTCNCBUSA-N 1 2 416.500 -1.408 20 0 HAADLO Cn1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000735039070 1071659419 /nfs/dbraw/zinc/65/94/19/1071659419.db2.gz AOSIYNODXFAYNO-UHFFFAOYSA-N 1 2 400.439 -1.052 20 0 HAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000735822572 1071662170 /nfs/dbraw/zinc/66/21/70/1071662170.db2.gz CLCUIBMVCYAMBZ-AWEZNQCLSA-N 1 2 423.495 -1.467 20 0 HAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000735822574 1071662252 /nfs/dbraw/zinc/66/22/52/1071662252.db2.gz CLCUIBMVCYAMBZ-CQSZACIVSA-N 1 2 423.495 -1.467 20 0 HAADLO Cn1cc(/C=C\C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000735823286 1071662151 /nfs/dbraw/zinc/66/21/51/1071662151.db2.gz NXJGUNUQYDVHPO-ABCZVMIZSA-N 1 2 405.455 -1.854 20 0 HAADLO Cn1cc(/C=C/C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000735823287 1071662159 /nfs/dbraw/zinc/66/21/59/1071662159.db2.gz NXJGUNUQYDVHPO-BWPKMQGJSA-N 1 2 405.455 -1.854 20 0 HAADLO Cn1cc(/C=C\C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000735823288 1071662142 /nfs/dbraw/zinc/66/21/42/1071662142.db2.gz NXJGUNUQYDVHPO-JZIMQPMSSA-N 1 2 405.455 -1.854 20 0 HAADLO Cn1cc(/C=C/C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)n(C)c1=O ZINC000735823289 1071662103 /nfs/dbraw/zinc/66/21/03/1071662103.db2.gz NXJGUNUQYDVHPO-NHZBNJEXSA-N 1 2 405.455 -1.854 20 0 HAADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735824147 1071662208 /nfs/dbraw/zinc/66/22/08/1071662208.db2.gz XVSXHQSBBVJDTJ-KBPBESRZSA-N 1 2 405.542 -1.044 20 0 HAADLO O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735824148 1071662983 /nfs/dbraw/zinc/66/29/83/1071662983.db2.gz XVSXHQSBBVJDTJ-KGLIPLIRSA-N 1 2 405.542 -1.044 20 0 HAADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735824149 1071662973 /nfs/dbraw/zinc/66/29/73/1071662973.db2.gz XVSXHQSBBVJDTJ-UONOGXRCSA-N 1 2 405.542 -1.044 20 0 HAADLO O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735824151 1071662749 /nfs/dbraw/zinc/66/27/49/1071662749.db2.gz XVSXHQSBBVJDTJ-ZIAGYGMSSA-N 1 2 405.542 -1.044 20 0 HAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000735929106 1071662645 /nfs/dbraw/zinc/66/26/45/1071662645.db2.gz XEEKRMCHQQPZQG-HNNXBMFYSA-N 1 2 423.495 -1.467 20 0 HAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000735929107 1071662878 /nfs/dbraw/zinc/66/28/78/1071662878.db2.gz XEEKRMCHQQPZQG-OAHLLOKOSA-N 1 2 423.495 -1.467 20 0 HAADLO CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000736138576 1071663481 /nfs/dbraw/zinc/66/34/81/1071663481.db2.gz JSVCPWMYTDGFFP-HNNXBMFYSA-N 1 2 410.471 -1.599 20 0 HAADLO CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000736138584 1071663470 /nfs/dbraw/zinc/66/34/70/1071663470.db2.gz JSVCPWMYTDGFFP-OAHLLOKOSA-N 1 2 410.471 -1.599 20 0 HAADLO Cn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c(=O)n(C)c1=O ZINC000737752476 1071663938 /nfs/dbraw/zinc/66/39/38/1071663938.db2.gz QBUVMRHYEYFIDB-UHFFFAOYSA-N 1 2 415.454 -1.327 20 0 HAADLO Cn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000737752476 1071663928 /nfs/dbraw/zinc/66/39/28/1071663928.db2.gz QBUVMRHYEYFIDB-UHFFFAOYSA-N 1 2 415.454 -1.327 20 0 HAADLO COC(=O)c1ccc(=O)n(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000739835521 1071665288 /nfs/dbraw/zinc/66/52/88/1071665288.db2.gz AXICURBUBPCAAT-UHFFFAOYSA-N 1 2 414.488 -1.903 20 0 HAADLO C[S@@](=O)CCN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000741287825 1071666238 /nfs/dbraw/zinc/66/62/38/1071666238.db2.gz CJVAKMXBURYVDS-CHAGWJKLSA-N 1 2 400.545 -1.310 20 0 HAADLO C[S@](=O)CCN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000741287827 1071666383 /nfs/dbraw/zinc/66/63/83/1071666383.db2.gz CJVAKMXBURYVDS-JWIGPWBQSA-N 1 2 400.545 -1.310 20 0 HAADLO C[S@](=O)CCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000741287830 1071666214 /nfs/dbraw/zinc/66/62/14/1071666214.db2.gz CJVAKMXBURYVDS-OQRWROFFSA-N 1 2 400.545 -1.310 20 0 HAADLO C[S@@](=O)CCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000741287833 1071666449 /nfs/dbraw/zinc/66/64/49/1071666449.db2.gz CJVAKMXBURYVDS-RKOGDMNLSA-N 1 2 400.545 -1.310 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000742065902 1071666964 /nfs/dbraw/zinc/66/69/64/1071666964.db2.gz JNXBMYFAMLWDSL-GFCCVEGCSA-N 1 2 400.505 -1.277 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000742065902 1071666959 /nfs/dbraw/zinc/66/69/59/1071666959.db2.gz JNXBMYFAMLWDSL-GFCCVEGCSA-N 1 2 400.505 -1.277 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000742065903 1071666998 /nfs/dbraw/zinc/66/69/98/1071666998.db2.gz JNXBMYFAMLWDSL-LBPRGKRZSA-N 1 2 400.505 -1.277 20 0 HAADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000742065903 1071666996 /nfs/dbraw/zinc/66/69/96/1071666996.db2.gz JNXBMYFAMLWDSL-LBPRGKRZSA-N 1 2 400.505 -1.277 20 0 HAADLO CS(=O)(=O)CCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000742301079 1071667418 /nfs/dbraw/zinc/66/74/18/1071667418.db2.gz HUMGATVFGNLGGF-UHFFFAOYSA-N 1 2 419.529 -1.190 20 0 HAADLO CS(=O)(=O)CCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000742301079 1071667416 /nfs/dbraw/zinc/66/74/16/1071667416.db2.gz HUMGATVFGNLGGF-UHFFFAOYSA-N 1 2 419.529 -1.190 20 0 HAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000746217872 1071675620 /nfs/dbraw/zinc/67/56/20/1071675620.db2.gz DNNLIKMIQOWVSJ-CYBMUJFWSA-N 1 2 423.495 -1.294 20 0 HAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000746217872 1071675616 /nfs/dbraw/zinc/67/56/16/1071675616.db2.gz DNNLIKMIQOWVSJ-CYBMUJFWSA-N 1 2 423.495 -1.294 20 0 HAADLO NC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000746217886 1071675772 /nfs/dbraw/zinc/67/57/72/1071675772.db2.gz DNNLIKMIQOWVSJ-ZDUSSCGKSA-N 1 2 423.495 -1.294 20 0 HAADLO NC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000746217886 1071675771 /nfs/dbraw/zinc/67/57/71/1071675771.db2.gz DNNLIKMIQOWVSJ-ZDUSSCGKSA-N 1 2 423.495 -1.294 20 0 HAADLO COC[C@@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000747451339 1071718323 /nfs/dbraw/zinc/71/83/23/1071718323.db2.gz DSAJSFXLAHRPOY-KRWDZBQOSA-N 1 2 403.549 -1.061 20 0 HAADLO COC[C@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000747451344 1071718295 /nfs/dbraw/zinc/71/82/95/1071718295.db2.gz DSAJSFXLAHRPOY-QGZVFWFLSA-N 1 2 403.549 -1.061 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCOCC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000747563811 1071720657 /nfs/dbraw/zinc/72/06/57/1071720657.db2.gz YYJBOZWXAJNCCK-UHFFFAOYSA-N 1 2 416.504 -1.001 20 0 HAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750003915 1072090395 /nfs/dbraw/zinc/09/03/95/1072090395.db2.gz NPFIUHDEBJRMFI-CXAGYDPISA-N 1 2 423.495 -1.234 20 0 HAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750003921 1072090465 /nfs/dbraw/zinc/09/04/65/1072090465.db2.gz NPFIUHDEBJRMFI-DYVFJYSZSA-N 1 2 423.495 -1.234 20 0 HAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750003922 1072090367 /nfs/dbraw/zinc/09/03/67/1072090367.db2.gz NPFIUHDEBJRMFI-GUYCJALGSA-N 1 2 423.495 -1.234 20 0 HAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000750003923 1072090318 /nfs/dbraw/zinc/09/03/18/1072090318.db2.gz NPFIUHDEBJRMFI-SUMWQHHRSA-N 1 2 423.495 -1.234 20 0 HAADLO Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(N(C)C)[nH+]1 ZINC000750256614 1072090228 /nfs/dbraw/zinc/09/02/28/1072090228.db2.gz XQJZXJFVIFUFCM-UHFFFAOYSA-N 1 2 401.431 -1.248 20 0 HAADLO NS(=O)(=O)c1ccc(CC[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000750617708 1072091354 /nfs/dbraw/zinc/09/13/54/1072091354.db2.gz YANNRRUCOQYRCY-UHFFFAOYSA-N 1 2 410.496 -1.121 20 0 HAADLO Cn1ncc2c1nnn(CN1CCN(c3cc(N4CCOCC4)[nH+]cn3)CC1)c2=O ZINC000754006134 1072093734 /nfs/dbraw/zinc/09/37/34/1072093734.db2.gz UHSNIQBZGQCEDM-UHFFFAOYSA-N 1 2 412.458 -1.069 20 0 HAADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000755308930 1072095583 /nfs/dbraw/zinc/09/55/83/1072095583.db2.gz CXKHSQQMEWIODE-UHFFFAOYSA-N 1 2 410.496 -1.038 20 0 HAADLO CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000755310672 1072095612 /nfs/dbraw/zinc/09/56/12/1072095612.db2.gz TVKXBOGFKFQAPD-UHFFFAOYSA-N 1 2 400.457 -1.057 20 0 HAADLO COc1nc(N2CCCN(CC(N)=O)CC2)nc(N2CCC[N@@H+](CC(N)=O)CC2)n1 ZINC000757844702 1072098384 /nfs/dbraw/zinc/09/83/84/1072098384.db2.gz VSRGMSBFNKDQNG-UHFFFAOYSA-N 1 2 421.506 -2.125 20 0 HAADLO COc1nc(N2CCCN(CC(N)=O)CC2)nc(N2CCC[N@H+](CC(N)=O)CC2)n1 ZINC000757844702 1072098372 /nfs/dbraw/zinc/09/83/72/1072098372.db2.gz VSRGMSBFNKDQNG-UHFFFAOYSA-N 1 2 421.506 -2.125 20 0 HAADLO CC(C)NS(=O)(=O)NCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000758700138 1072099515 /nfs/dbraw/zinc/09/95/15/1072099515.db2.gz AJIZQBBPTXXZAH-UHFFFAOYSA-N 1 2 413.566 -1.373 20 0 HAADLO COCC(=O)N(C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000758784802 1072099441 /nfs/dbraw/zinc/09/94/41/1072099441.db2.gz HNFCAOMZGDKZKI-UHFFFAOYSA-N 1 2 419.442 -1.340 20 0 HAADLO O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000761059066 1071396643 /nfs/dbraw/zinc/39/66/43/1071396643.db2.gz CNIUTPGHVKLACP-KGLIPLIRSA-N 1 2 409.468 -1.069 20 0 HAADLO C[C@@H](O)c1cn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000762971551 1071490300 /nfs/dbraw/zinc/49/03/00/1071490300.db2.gz BIXQSVLYBNBXLS-CYBMUJFWSA-N 1 2 401.493 -2.032 20 0 HAADLO C[C@H](O)c1cn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000762971558 1071490371 /nfs/dbraw/zinc/49/03/71/1071490371.db2.gz BIXQSVLYBNBXLS-ZDUSSCGKSA-N 1 2 401.493 -2.032 20 0 HAADLO C[C@H](O)c1cn(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000763023262 1071490330 /nfs/dbraw/zinc/49/03/30/1071490330.db2.gz LYHOXJITBBOEQJ-AWEZNQCLSA-N 1 2 423.499 -1.005 20 0 HAADLO C[C@@H](O)c1cn(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000763023263 1071490357 /nfs/dbraw/zinc/49/03/57/1071490357.db2.gz LYHOXJITBBOEQJ-CQSZACIVSA-N 1 2 423.499 -1.005 20 0 HAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000763039004 1071491278 /nfs/dbraw/zinc/49/12/78/1071491278.db2.gz PMIZYDXLAOXFOH-GFCCVEGCSA-N 1 2 411.484 -1.528 20 0 HAADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000763039004 1071491274 /nfs/dbraw/zinc/49/12/74/1071491274.db2.gz PMIZYDXLAOXFOH-GFCCVEGCSA-N 1 2 411.484 -1.528 20 0 HAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000763039009 1071491199 /nfs/dbraw/zinc/49/11/99/1071491199.db2.gz PMIZYDXLAOXFOH-LBPRGKRZSA-N 1 2 411.484 -1.528 20 0 HAADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000763039009 1071491195 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/nfs/dbraw/zinc/10/39/79/1072103979.db2.gz DQJFNHAPHJHVIV-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO COCCNc1nc(N2CC(=O)N(C)C[C@@H]2C)nc(N2CC(=O)N(C)C[C@@H]2C)[nH+]1 ZINC000782397755 1072103972 /nfs/dbraw/zinc/10/39/72/1072103972.db2.gz DQJFNHAPHJHVIV-STQMWFEESA-N 1 2 406.491 -1.314 20 0 HAADLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000783976857 1072105251 /nfs/dbraw/zinc/10/52/51/1072105251.db2.gz WJFJUAJXFQGYAP-HNNXBMFYSA-N 1 2 404.471 -1.304 20 0 HAADLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 ZINC000783976886 1072105087 /nfs/dbraw/zinc/10/50/87/1072105087.db2.gz WJFJUAJXFQGYAP-OAHLLOKOSA-N 1 2 404.471 -1.304 20 0 HAADLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000783977108 1072105160 /nfs/dbraw/zinc/10/51/60/1072105160.db2.gz ZUBSKPZFRVESTJ-HNNXBMFYSA-N 1 2 412.516 -1.112 20 0 HAADLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000783977125 1072105164 /nfs/dbraw/zinc/10/51/64/1072105164.db2.gz ZUBSKPZFRVESTJ-OAHLLOKOSA-N 1 2 412.516 -1.112 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000784970108 1070811406 /nfs/dbraw/zinc/81/14/06/1070811406.db2.gz IJFHABOLKOJPPX-KRWDZBQOSA-N 1 2 419.482 -1.287 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000784970109 1070811169 /nfs/dbraw/zinc/81/11/69/1070811169.db2.gz IJFHABOLKOJPPX-QGZVFWFLSA-N 1 2 419.482 -1.287 20 0 HAADLO CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785656756 1071690045 /nfs/dbraw/zinc/69/00/45/1071690045.db2.gz FHRHQWGATOYQCE-DLBZAZTESA-N 1 2 424.498 -1.163 20 0 HAADLO CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785656764 1071690809 /nfs/dbraw/zinc/69/08/09/1071690809.db2.gz FHRHQWGATOYQCE-IAGOWNOFSA-N 1 2 424.498 -1.163 20 0 HAADLO CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785656765 1071690681 /nfs/dbraw/zinc/69/06/81/1071690681.db2.gz FHRHQWGATOYQCE-IRXDYDNUSA-N 1 2 424.498 -1.163 20 0 HAADLO CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000785656767 1071690799 /nfs/dbraw/zinc/69/07/99/1071690799.db2.gz FHRHQWGATOYQCE-SJORKVTESA-N 1 2 424.498 -1.163 20 0 HAADLO O=C(COC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCC(=O)N1CCCC1 ZINC000785657731 1071690804 /nfs/dbraw/zinc/69/08/04/1071690804.db2.gz BMGNGKXVNWKIDX-HNNXBMFYSA-N 1 2 410.471 -1.551 20 0 HAADLO O=C(COC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCC(=O)N1CCCC1 ZINC000785657733 1071690767 /nfs/dbraw/zinc/69/07/67/1071690767.db2.gz BMGNGKXVNWKIDX-OAHLLOKOSA-N 1 2 410.471 -1.551 20 0 HAADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000785658910 1071690795 /nfs/dbraw/zinc/69/07/95/1071690795.db2.gz RHWUMRRRZRACSN-CABCVRRESA-N 1 2 424.498 -1.164 20 0 HAADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000785658915 1071690820 /nfs/dbraw/zinc/69/08/20/1071690820.db2.gz RHWUMRRRZRACSN-GJZGRUSLSA-N 1 2 424.498 -1.164 20 0 HAADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000785658921 1071690756 /nfs/dbraw/zinc/69/07/56/1071690756.db2.gz RHWUMRRRZRACSN-HUUCEWRRSA-N 1 2 424.498 -1.164 20 0 HAADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N(C)CC(=O)NC1CC1 ZINC000785658927 1071690724 /nfs/dbraw/zinc/69/07/24/1071690724.db2.gz RHWUMRRRZRACSN-LSDHHAIUSA-N 1 2 424.498 -1.164 20 0 HAADLO CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785659950 1071690743 /nfs/dbraw/zinc/69/07/43/1071690743.db2.gz ONUBIAFTGXKZRE-DOTOQJQBSA-N 1 2 424.498 -1.211 20 0 HAADLO CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785659957 1071690832 /nfs/dbraw/zinc/69/08/32/1071690832.db2.gz ONUBIAFTGXKZRE-NVXWUHKLSA-N 1 2 424.498 -1.211 20 0 HAADLO CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000785659960 1071690695 /nfs/dbraw/zinc/69/06/95/1071690695.db2.gz ONUBIAFTGXKZRE-RDJZCZTQSA-N 1 2 424.498 -1.211 20 0 HAADLO 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O=C(Cn1cnnn1)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000956577664 1072041236 /nfs/dbraw/zinc/04/12/36/1072041236.db2.gz SBEAJAVUUYQWQS-CNRFMZSYSA-N 1 2 401.471 -1.158 20 0 HAADLO O=C(Cn1cnnn1)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000956577665 1072041088 /nfs/dbraw/zinc/04/10/88/1072041088.db2.gz SBEAJAVUUYQWQS-NTCWUJLTSA-N 1 2 401.471 -1.158 20 0 HAADLO O=C(Cn1ncnn1)N1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000956595092 1072041191 /nfs/dbraw/zinc/04/11/91/1072041191.db2.gz LSLSXTFKAGOBOA-CNRFMZSYSA-N 1 2 401.471 -1.158 20 0 HAADLO O=C(Cn1ncnn1)N1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000956595093 1072041046 /nfs/dbraw/zinc/04/10/46/1072041046.db2.gz LSLSXTFKAGOBOA-NTCWUJLTSA-N 1 2 401.471 -1.158 20 0 HAADLO O=C(Cn1cnnn1)N1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC000956601393 1072041712 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/nfs/dbraw/zinc/08/58/48/1072085848.db2.gz CSJOZEMYUKYRKU-BTYMGIQYSA-N 1 2 402.459 -1.000 20 0 HAADLO Cn1ncnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001070241391 1072085531 /nfs/dbraw/zinc/08/55/31/1072085531.db2.gz DFEFVSSONZZQAC-KSXIZUIISA-N 1 2 402.459 -1.000 20 0 HAADLO Cn1cnnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@@H]1n1ccnn1 ZINC001070241402 1072085822 /nfs/dbraw/zinc/08/58/22/1072085822.db2.gz DNAGSJPTMJMTKW-KSXIZUIISA-N 1 2 402.459 -1.000 20 0 HAADLO Cn1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C[C@@H]2n2ccnn2)n1 ZINC001070241635 1072086340 /nfs/dbraw/zinc/08/63/40/1072086340.db2.gz QLJRZFXDRJVVOL-BTYMGIQYSA-N 1 2 402.459 -1.000 20 0 HAADLO NC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001077414032 1071342767 /nfs/dbraw/zinc/34/27/67/1071342767.db2.gz OLNZOTXLSDJSTE-HKXJQTKSSA-N 1 2 406.483 -1.705 20 0 HAADLO NC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001077414032 1071342758 /nfs/dbraw/zinc/34/27/58/1071342758.db2.gz OLNZOTXLSDJSTE-HKXJQTKSSA-N 1 2 406.483 -1.705 20 0 HAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001077414262 1071342655 /nfs/dbraw/zinc/34/26/55/1071342655.db2.gz VWIOQIRDKLQFNB-OKAVUVSYSA-N 1 2 406.483 -1.738 20 0 HAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001077414262 1071342640 /nfs/dbraw/zinc/34/26/40/1071342640.db2.gz VWIOQIRDKLQFNB-OKAVUVSYSA-N 1 2 406.483 -1.738 20 0 HAADLO CNC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001077416875 1071342005 /nfs/dbraw/zinc/34/20/05/1071342005.db2.gz CJGJBQDGCWSWEB-OKAVUVSYSA-N 1 2 420.510 -1.444 20 0 HAADLO CNC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001077416875 1071341986 /nfs/dbraw/zinc/34/19/86/1071341986.db2.gz CJGJBQDGCWSWEB-OKAVUVSYSA-N 1 2 420.510 -1.444 20 0 HAADLO O=C(N[C@@H]1C[N@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001077432963 1071357171 /nfs/dbraw/zinc/35/71/71/1071357171.db2.gz GFORPIMRZCUYOK-QQPQVQKFSA-N 1 2 403.439 -1.265 20 0 HAADLO O=C(N[C@@H]1C[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001077432963 1071357157 /nfs/dbraw/zinc/35/71/57/1071357157.db2.gz GFORPIMRZCUYOK-QQPQVQKFSA-N 1 2 403.439 -1.265 20 0 HAADLO O=C(N[C@@H]1C[N@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001077432989 1071357401 /nfs/dbraw/zinc/35/74/01/1071357401.db2.gz HQLOYFLJKUWHKG-AALSBFMBSA-N 1 2 403.501 -1.765 20 0 HAADLO O=C(N[C@@H]1C[N@@H+](CCN2CCCS2(=O)=O)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001077432989 1071357386 /nfs/dbraw/zinc/35/73/86/1071357386.db2.gz HQLOYFLJKUWHKG-AALSBFMBSA-N 1 2 403.501 -1.765 20 0 HAADLO CO[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959729 1071643592 /nfs/dbraw/zinc/64/35/92/1071643592.db2.gz UYFDCKOMGVZZPZ-VDTQWGJQSA-N 1 2 404.467 -1.177 20 0 HAADLO CO[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959729 1071643584 /nfs/dbraw/zinc/64/35/84/1071643584.db2.gz UYFDCKOMGVZZPZ-VDTQWGJQSA-N 1 2 404.467 -1.177 20 0 HAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959813 1071644444 /nfs/dbraw/zinc/64/44/44/1071644444.db2.gz YZHXIYPJMZZUAB-JHSWVUKBSA-N 1 2 420.510 -1.084 20 0 HAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCN(C(C)=O)CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081959813 1071644435 /nfs/dbraw/zinc/64/44/35/1071644435.db2.gz YZHXIYPJMZZUAB-JHSWVUKBSA-N 1 2 420.510 -1.084 20 0 HAADLO CO[C@@H]1C[N@@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081961812 1071644596 /nfs/dbraw/zinc/64/45/96/1071644596.db2.gz DKYSYXOXDRPGEM-KGOGZUQQSA-N 1 2 420.510 -1.051 20 0 HAADLO CO[C@@H]1C[N@H+](CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001081961812 1071644591 /nfs/dbraw/zinc/64/45/91/1071644591.db2.gz DKYSYXOXDRPGEM-KGOGZUQQSA-N 1 2 420.510 -1.051 20 0 HAADLO Cn1c(C[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc(=O)n(C)c1=O ZINC001083148991 1071646521 /nfs/dbraw/zinc/64/65/21/1071646521.db2.gz RJXSFCSYTJOHQY-PSGQMVFXSA-N 1 2 416.478 -1.081 20 0 HAADLO Cn1c(C[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc(=O)n(C)c1=O ZINC001083148991 1071646517 /nfs/dbraw/zinc/64/65/17/1071646517.db2.gz RJXSFCSYTJOHQY-PSGQMVFXSA-N 1 2 416.478 -1.081 20 0 HAADLO CNC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)CC1 ZINC001083654220 1071362343 /nfs/dbraw/zinc/36/23/43/1071362343.db2.gz CJGJBQDGCWSWEB-WZSRKYPNSA-N 1 2 420.510 -1.444 20 0 HAADLO CNC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)CC1 ZINC001083654220 1071362330 /nfs/dbraw/zinc/36/23/30/1071362330.db2.gz CJGJBQDGCWSWEB-WZSRKYPNSA-N 1 2 420.510 -1.444 20 0 HAADLO NC(=O)C1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)CC1 ZINC001083654451 1071362588 /nfs/dbraw/zinc/36/25/88/1071362588.db2.gz OLNZOTXLSDJSTE-FTBKSCEHSA-N 1 2 406.483 -1.705 20 0 HAADLO NC(=O)C1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)CC1 ZINC001083654451 1071362576 /nfs/dbraw/zinc/36/25/76/1071362576.db2.gz OLNZOTXLSDJSTE-FTBKSCEHSA-N 1 2 406.483 -1.705 20 0 HAADLO CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)CC1 ZINC001083654592 1071362628 /nfs/dbraw/zinc/36/26/28/1071362628.db2.gz VWIOQIRDKLQFNB-WZSRKYPNSA-N 1 2 406.483 -1.738 20 0 HAADLO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H](O)C2)CC1 ZINC001083654592 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IQMAUHIRWNQMQG-RHSMWYFYSA-N 1 2 418.498 -1.194 20 0 HAADLO CN1CCO[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1=O ZINC001140377694 1072127263 /nfs/dbraw/zinc/12/72/63/1072127263.db2.gz IQMAUHIRWNQMQG-WMLDXEAASA-N 1 2 418.498 -1.194 20 0 HAADLO CN1CCO[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1=O ZINC001140377695 1072127350 /nfs/dbraw/zinc/12/73/50/1072127350.db2.gz IQMAUHIRWNQMQG-YOEHRIQHSA-N 1 2 418.498 -1.194 20 0 HAADLO O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC3C(=O)N=CNC3=O)C[C@@H]21)N1CCOCC1 ZINC001140470535 1072127240 /nfs/dbraw/zinc/12/72/40/1072127240.db2.gz IIESWTLXFZEXJN-OUCADQQQSA-N 1 2 412.468 -1.018 20 0 HAADLO O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC3C(=O)N=CNC3=O)C[C@@H]21)N1CCOCC1 ZINC001140470535 1072127236 /nfs/dbraw/zinc/12/72/36/1072127236.db2.gz IIESWTLXFZEXJN-OUCADQQQSA-N 1 2 412.468 -1.018 20 0 HAADLO O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](CC3C(=O)N=CNC3=O)C[C@@H]21)N1CCOCC1 ZINC001140470536 1072127325 /nfs/dbraw/zinc/12/73/25/1072127325.db2.gz IIESWTLXFZEXJN-YRGRVCCFSA-N 1 2 412.468 -1.018 20 0 HAADLO O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](CC3C(=O)N=CNC3=O)C[C@@H]21)N1CCOCC1 ZINC001140470536 1072127320 /nfs/dbraw/zinc/12/73/20/1072127320.db2.gz IIESWTLXFZEXJN-YRGRVCCFSA-N 1 2 412.468 -1.018 20 0 HAADLO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC1C(=O)N=CNC1=O)C(=O)NCC(N)=O ZINC001140472527 1072127217 /nfs/dbraw/zinc/12/72/17/1072127217.db2.gz UNXHBGCBPQHYQW-STQMWFEESA-N 1 2 408.459 -1.015 20 0 HAADLO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC1C(=O)N=CNC1=O)C(=O)NCC(N)=O ZINC001140472527 1072127209 /nfs/dbraw/zinc/12/72/09/1072127209.db2.gz UNXHBGCBPQHYQW-STQMWFEESA-N 1 2 408.459 -1.015 20 0 HAADLO O=C(NCC1(O)CCS(=O)(=O)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001140608069 1072127277 /nfs/dbraw/zinc/12/72/77/1072127277.db2.gz JFMOKUUQJJXHKU-AWEZNQCLSA-N 1 2 403.501 -1.777 20 0 HAADLO O=C(NCC1(O)CCS(=O)(=O)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001140608070 1072127369 /nfs/dbraw/zinc/12/73/69/1072127369.db2.gz JFMOKUUQJJXHKU-CQSZACIVSA-N 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NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1cccnc1 ZINC001142112931 1072130869 /nfs/dbraw/zinc/13/08/69/1072130869.db2.gz OLISDXSJHHGCII-GJZGRUSLSA-N 1 2 413.438 -1.262 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1ccco1 ZINC001142124001 1072130968 /nfs/dbraw/zinc/13/09/68/1072130968.db2.gz QFZVSPCDVLGAHB-STQMWFEESA-N 1 2 402.411 -1.064 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1ccco1 ZINC001142124001 1072130964 /nfs/dbraw/zinc/13/09/64/1072130964.db2.gz QFZVSPCDVLGAHB-STQMWFEESA-N 1 2 402.411 -1.064 20 0 HAADLO Cc1cn(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)[nH]c1=O ZINC001142322647 1072131822 /nfs/dbraw/zinc/13/18/22/1072131822.db2.gz ZMNZWTXSAGKZLY-STQMWFEESA-N 1 2 417.426 -1.816 20 0 HAADLO Cc1cn(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)[nH]c1=O ZINC001142322647 1072131815 /nfs/dbraw/zinc/13/18/15/1072131815.db2.gz ZMNZWTXSAGKZLY-STQMWFEESA-N 1 2 417.426 -1.816 20 0 HAADLO 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CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001143030922 1072134896 /nfs/dbraw/zinc/13/48/96/1072134896.db2.gz JVZQVCIEKRQIEF-ZBFHGGJFSA-N 1 2 418.498 -1.326 20 0 HAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001143039348 1072134934 /nfs/dbraw/zinc/13/49/34/1072134934.db2.gz CAFHZHIJVGDBOQ-QPSCCSFWSA-N 1 2 406.443 -2.105 20 0 HAADLO CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001143039348 1072134928 /nfs/dbraw/zinc/13/49/28/1072134928.db2.gz CAFHZHIJVGDBOQ-QPSCCSFWSA-N 1 2 406.443 -2.105 20 0 HAADLO CN(C(=O)c1[nH]c(=O)[nH]c(=O)c1N)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001144084676 1071738840 /nfs/dbraw/zinc/73/88/40/1071738840.db2.gz JNOPWDFTDVNYOA-UHFFFAOYSA-N 1 2 407.475 -1.220 20 0 HAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)CC2 ZINC001144325497 1071740064 /nfs/dbraw/zinc/74/00/64/1071740064.db2.gz CIBVYBJLEHTJMT-LBPRGKRZSA-N 1 2 403.443 -1.710 20 0 HAADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001144332676 1071739594 /nfs/dbraw/zinc/73/95/94/1071739594.db2.gz HPSTXPVLOAXQLD-KBPBESRZSA-N 1 2 420.470 -1.207 20 0 HAADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001144332677 1071739379 /nfs/dbraw/zinc/73/93/79/1071739379.db2.gz HPSTXPVLOAXQLD-KGLIPLIRSA-N 1 2 420.470 -1.207 20 0 HAADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144409654 1071740047 /nfs/dbraw/zinc/74/00/47/1071740047.db2.gz SBKZWMHCKDWKAB-HNNXBMFYSA-N 1 2 402.517 -1.261 20 0 HAADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144409655 1071740563 /nfs/dbraw/zinc/74/05/63/1071740563.db2.gz SBKZWMHCKDWKAB-OAHLLOKOSA-N 1 2 402.517 -1.261 20 0 HAADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001144558157 1071740410 /nfs/dbraw/zinc/74/04/10/1071740410.db2.gz KLRYTWLHGJDJFP-HNNXBMFYSA-N 1 2 407.446 -1.252 20 0 HAADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001144558157 1071740406 /nfs/dbraw/zinc/74/04/06/1071740406.db2.gz KLRYTWLHGJDJFP-HNNXBMFYSA-N 1 2 407.446 -1.252 20 0 HAADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001144558158 1071740462 /nfs/dbraw/zinc/74/04/62/1071740462.db2.gz KLRYTWLHGJDJFP-OAHLLOKOSA-N 1 2 407.446 -1.252 20 0 HAADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001144558158 1071740458 /nfs/dbraw/zinc/74/04/58/1071740458.db2.gz KLRYTWLHGJDJFP-OAHLLOKOSA-N 1 2 407.446 -1.252 20 0 HAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCCS(N)(=O)=O)CC2 ZINC001144582207 1071740999 /nfs/dbraw/zinc/74/09/99/1071740999.db2.gz CHYMKOCIWDVQDN-UHFFFAOYSA-N 1 2 412.516 -1.239 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCS(N)(=O)=O ZINC001144594214 1071740950 /nfs/dbraw/zinc/74/09/50/1071740950.db2.gz CQXVKCHTBHOZGO-RYUDHWBXSA-N 1 2 400.461 -2.018 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCS(N)(=O)=O ZINC001144594214 1071740946 /nfs/dbraw/zinc/74/09/46/1071740946.db2.gz CQXVKCHTBHOZGO-RYUDHWBXSA-N 1 2 400.461 -2.018 20 0 HAADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144891712 1071741448 /nfs/dbraw/zinc/74/14/48/1071741448.db2.gz APGIJPXCRWOVFX-BRWVUGGUSA-N 1 2 412.439 -2.342 20 0 HAADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144891713 1071741390 /nfs/dbraw/zinc/74/13/90/1071741390.db2.gz APGIJPXCRWOVFX-GVDBMIGSSA-N 1 2 412.439 -2.342 20 0 HAADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144891714 1071741510 /nfs/dbraw/zinc/74/15/10/1071741510.db2.gz APGIJPXCRWOVFX-IXDOHACOSA-N 1 2 412.439 -2.342 20 0 HAADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144891715 1071741912 /nfs/dbraw/zinc/74/19/12/1071741912.db2.gz APGIJPXCRWOVFX-YESZJQIVSA-N 1 2 412.439 -2.342 20 0 HAADLO O=C(C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893264 1071761291 /nfs/dbraw/zinc/76/12/91/1071761291.db2.gz CYJLQMYTESWEOH-CWRNSKLLSA-N 1 2 409.439 -2.077 20 0 HAADLO O=C(C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893270 1071761311 /nfs/dbraw/zinc/76/13/11/1071761311.db2.gz CYJLQMYTESWEOH-FVQBIDKESA-N 1 2 409.439 -2.077 20 0 HAADLO O=C(C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893273 1071761083 /nfs/dbraw/zinc/76/10/83/1071761083.db2.gz CYJLQMYTESWEOH-NUEKZKHPSA-N 1 2 409.439 -2.077 20 0 HAADLO O=C(C(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893277 1071761197 /nfs/dbraw/zinc/76/11/97/1071761197.db2.gz CYJLQMYTESWEOH-VNQPRFMTSA-N 1 2 409.439 -2.077 20 0 HAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144893280 1071761025 /nfs/dbraw/zinc/76/10/25/1071761025.db2.gz CYNBABFNCNFCBA-BASLNEPJSA-N 1 2 420.422 -2.040 20 0 HAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144893281 1071761229 /nfs/dbraw/zinc/76/12/29/1071761229.db2.gz CYNBABFNCNFCBA-ISWURRPUSA-N 1 2 420.422 -2.040 20 0 HAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144893282 1071761268 /nfs/dbraw/zinc/76/12/68/1071761268.db2.gz CYNBABFNCNFCBA-VDNDLQMASA-N 1 2 420.422 -2.040 20 0 HAADLO O=C(C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144893284 1071761175 /nfs/dbraw/zinc/76/11/75/1071761175.db2.gz CYNBABFNCNFCBA-VJUNAUMWSA-N 1 2 420.422 -2.040 20 0 HAADLO O=C(C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895716 1071744429 /nfs/dbraw/zinc/74/44/29/1071744429.db2.gz NTWSXBYUFXSCBI-APHBMKBZSA-N 1 2 421.410 -3.136 20 0 HAADLO O=C(C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895717 1071744417 /nfs/dbraw/zinc/74/44/17/1071744417.db2.gz NTWSXBYUFXSCBI-DAXOMENPSA-N 1 2 421.410 -3.136 20 0 HAADLO O=C(C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895718 1071744349 /nfs/dbraw/zinc/74/43/49/1071744349.db2.gz NTWSXBYUFXSCBI-UHOFOFEASA-N 1 2 421.410 -3.136 20 0 HAADLO O=C(C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895719 1071744372 /nfs/dbraw/zinc/74/43/72/1071744372.db2.gz NTWSXBYUFXSCBI-VBNZEHGJSA-N 1 2 421.410 -3.136 20 0 HAADLO C[NH+](C)Cc1nc(CSCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cs1 ZINC001144904467 1071755664 /nfs/dbraw/zinc/75/56/64/1071755664.db2.gz PEKLAVHYYSLGSQ-CYZMBNFOSA-N 1 2 407.514 -1.802 20 0 HAADLO C[NH+](C)Cc1nc(CSCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cs1 ZINC001144904472 1071755529 /nfs/dbraw/zinc/75/55/29/1071755529.db2.gz PEKLAVHYYSLGSQ-KGYLQXTDSA-N 1 2 407.514 -1.802 20 0 HAADLO C[NH+](C)Cc1nc(CSCCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cs1 ZINC001144904474 1071755651 /nfs/dbraw/zinc/75/56/51/1071755651.db2.gz PEKLAVHYYSLGSQ-RAIGVLPGSA-N 1 2 407.514 -1.802 20 0 HAADLO C[NH+](C)Cc1nc(CSCCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cs1 ZINC001144904476 1071755584 /nfs/dbraw/zinc/75/55/84/1071755584.db2.gz PEKLAVHYYSLGSQ-WCFLWFBJSA-N 1 2 407.514 -1.802 20 0 HAADLO COc1ccc(F)c(C[NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)c1 ZINC001144905695 1071756147 /nfs/dbraw/zinc/75/61/47/1071756147.db2.gz RWWLCJBKJSBSFR-BRWVUGGUSA-N 1 2 414.430 -1.441 20 0 HAADLO COc1ccc(F)c(C[NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)c1 ZINC001144905696 1071756085 /nfs/dbraw/zinc/75/60/85/1071756085.db2.gz RWWLCJBKJSBSFR-GVDBMIGSSA-N 1 2 414.430 -1.441 20 0 HAADLO COc1ccc(F)c(C[NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)c1 ZINC001144905697 1071756706 /nfs/dbraw/zinc/75/67/06/1071756706.db2.gz RWWLCJBKJSBSFR-IXDOHACOSA-N 1 2 414.430 -1.441 20 0 HAADLO COc1ccc(F)c(C[NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2)c1 ZINC001144905698 1071756696 /nfs/dbraw/zinc/75/66/96/1071756696.db2.gz RWWLCJBKJSBSFR-YESZJQIVSA-N 1 2 414.430 -1.441 20 0 HAADLO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907131 1071757126 /nfs/dbraw/zinc/75/71/26/1071757126.db2.gz UMKAHYBVZSDKFR-IAOVAPTHSA-N 1 2 423.422 -1.566 20 0 HAADLO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907132 1071757058 /nfs/dbraw/zinc/75/70/58/1071757058.db2.gz UMKAHYBVZSDKFR-KBRIMQKVSA-N 1 2 423.422 -1.566 20 0 HAADLO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907133 1071757158 /nfs/dbraw/zinc/75/71/58/1071757158.db2.gz UMKAHYBVZSDKFR-RRQGHBQHSA-N 1 2 423.422 -1.566 20 0 HAADLO COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907134 1071757144 /nfs/dbraw/zinc/75/71/44/1071757144.db2.gz UMKAHYBVZSDKFR-XOKHGSTOSA-N 1 2 423.422 -1.566 20 0 HAADLO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001146618111 1071771252 /nfs/dbraw/zinc/77/12/52/1071771252.db2.gz GWBHGORCULVPOI-IIDMSEBBSA-N 1 2 401.423 -1.367 20 0 HAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2 ZINC001146618135 1071771284 /nfs/dbraw/zinc/77/12/84/1071771284.db2.gz HQWBIXDMINULHA-JFIYKMOQSA-N 1 2 419.482 -1.895 20 0 HAADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 ZINC001147544604 1071773359 /nfs/dbraw/zinc/77/33/59/1071773359.db2.gz WLDXOYABMUOATO-IBGZPJMESA-N 1 2 404.471 -1.073 20 0 HAADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 ZINC001147544604 1071773350 /nfs/dbraw/zinc/77/33/50/1071773350.db2.gz WLDXOYABMUOATO-IBGZPJMESA-N 1 2 404.471 -1.073 20 0 HAADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 ZINC001147544647 1071773259 /nfs/dbraw/zinc/77/32/59/1071773259.db2.gz WLDXOYABMUOATO-LJQANCHMSA-N 1 2 404.471 -1.073 20 0 HAADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)C1 ZINC001147544647 1071773254 /nfs/dbraw/zinc/77/32/54/1071773254.db2.gz WLDXOYABMUOATO-LJQANCHMSA-N 1 2 404.471 -1.073 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2n(n1)CCNC2=O ZINC001147554545 1071773240 /nfs/dbraw/zinc/77/32/40/1071773240.db2.gz UOPSQTSYXXBCLL-STQMWFEESA-N 1 2 414.426 -1.833 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2n(n1)CCNC2=O ZINC001147554545 1071773232 /nfs/dbraw/zinc/77/32/32/1071773232.db2.gz UOPSQTSYXXBCLL-STQMWFEESA-N 1 2 414.426 -1.833 20 0 HAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1nccnc1C(N)=O)CC2 ZINC001147752691 1071774595 /nfs/dbraw/zinc/77/45/95/1071774595.db2.gz WWPUTSDDRGVPCG-UHFFFAOYSA-N 1 2 412.454 -1.105 20 0 HAADLO COCCCn1nc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1=O ZINC001147764264 1071773923 /nfs/dbraw/zinc/77/39/23/1071773923.db2.gz LWLJIWUFXUFHAR-HNNXBMFYSA-N 1 2 407.471 -1.057 20 0 HAADLO COCCCn1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1=O ZINC001147764265 1071774070 /nfs/dbraw/zinc/77/40/70/1071774070.db2.gz LWLJIWUFXUFHAR-OAHLLOKOSA-N 1 2 407.471 -1.057 20 0 HAADLO NC(=O)c1nccnc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001147765150 1071773888 /nfs/dbraw/zinc/77/38/88/1071773888.db2.gz KBRNLKZQDZSPMG-QWRGUYRKSA-N 1 2 400.399 -1.884 20 0 HAADLO NC(=O)c1nccnc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001147765150 1071773882 /nfs/dbraw/zinc/77/38/82/1071773882.db2.gz KBRNLKZQDZSPMG-QWRGUYRKSA-N 1 2 400.399 -1.884 20 0 HAADLO O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001147765469 1071774050 /nfs/dbraw/zinc/77/40/50/1071774050.db2.gz UOEDGLRCFSPXLC-KSZLIROESA-N 1 2 410.515 -1.085 20 0 HAADLO O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001147765473 1071774132 /nfs/dbraw/zinc/77/41/32/1071774132.db2.gz UOEDGLRCFSPXLC-KURKYZTESA-N 1 2 410.515 -1.085 20 0 HAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001149726286 1072137932 /nfs/dbraw/zinc/13/79/32/1072137932.db2.gz SYGFKZCMNWFHKK-HNNXBMFYSA-N 1 2 420.532 -1.620 20 0 HAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001149726287 1072137915 /nfs/dbraw/zinc/13/79/15/1072137915.db2.gz SYGFKZCMNWFHKK-OAHLLOKOSA-N 1 2 420.532 -1.620 20 0 HAADLO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001150382264 1072138922 /nfs/dbraw/zinc/13/89/22/1072138922.db2.gz MFTNBSHXQCSBBN-CVEARBPZSA-N 1 2 416.544 -1.045 20 0 HAADLO CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001150382265 1072139015 /nfs/dbraw/zinc/13/90/15/1072139015.db2.gz MFTNBSHXQCSBBN-HOTGVXAUSA-N 1 2 416.544 -1.045 20 0 HAADLO CNS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001150382267 1072138977 /nfs/dbraw/zinc/13/89/77/1072138977.db2.gz MFTNBSHXQCSBBN-HZPDHXFCSA-N 1 2 416.544 -1.045 20 0 HAADLO CNS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001150382269 1072139053 /nfs/dbraw/zinc/13/90/53/1072139053.db2.gz MFTNBSHXQCSBBN-JKSUJKDBSA-N 1 2 416.544 -1.045 20 0 HAADLO 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CO[C@@]1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS(=O)(=O)C1 ZINC001155938592 1072151424 /nfs/dbraw/zinc/15/14/24/1072151424.db2.gz NLETXPUTVCNRLU-WMLDXEAASA-N 1 2 403.501 -1.513 20 0 HAADLO CO[C@]1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS(=O)(=O)C1 ZINC001155938594 1072151384 /nfs/dbraw/zinc/15/13/84/1072151384.db2.gz NLETXPUTVCNRLU-YOEHRIQHSA-N 1 2 403.501 -1.513 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC001156194621 1072151421 /nfs/dbraw/zinc/15/14/21/1072151421.db2.gz OPMHCGVRQZSIAQ-UHFFFAOYSA-N 1 2 402.455 -1.165 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC001156194621 1072151417 /nfs/dbraw/zinc/15/14/17/1072151417.db2.gz OPMHCGVRQZSIAQ-UHFFFAOYSA-N 1 2 402.455 -1.165 20 0 HAADLO Cc1nccn2c(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)nnc12 ZINC001156421382 1072151801 /nfs/dbraw/zinc/15/18/01/1072151801.db2.gz VGAIJIIHEMJNRR-STQMWFEESA-N 1 2 411.426 -1.027 20 0 HAADLO Cc1nccn2c(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)nnc12 ZINC001156421382 1072151799 /nfs/dbraw/zinc/15/17/99/1072151799.db2.gz VGAIJIIHEMJNRR-STQMWFEESA-N 1 2 411.426 -1.027 20 0 HAADLO O=C(NCCNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)N1CCOCC1 ZINC001157106602 1072154110 /nfs/dbraw/zinc/15/41/10/1072154110.db2.gz IVGSAABOHPOYKT-UHFFFAOYSA-N 1 2 422.490 -1.580 20 0 HAADLO O=C(NCCNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)N1CCOCC1 ZINC001157106602 1072154106 /nfs/dbraw/zinc/15/41/06/1072154106.db2.gz IVGSAABOHPOYKT-UHFFFAOYSA-N 1 2 422.490 -1.580 20 0 HAADLO COC(=O)[C@@H]([NH3+])CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)C(C)C ZINC001157325839 1072155093 /nfs/dbraw/zinc/15/50/93/1072155093.db2.gz ZLPXQFRLDPYZCH-LZWOXQAQSA-N 1 2 408.455 -1.064 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC3)CC1 ZINC001157375569 1072155741 /nfs/dbraw/zinc/15/57/41/1072155741.db2.gz RSLQLPHQLWDSHP-RRQGHBQHSA-N 1 2 418.498 -1.018 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC3)CC1 ZINC001157375570 1072155846 /nfs/dbraw/zinc/15/58/46/1072155846.db2.gz RSLQLPHQLWDSHP-XOKHGSTOSA-N 1 2 418.498 -1.018 20 0 HAADLO O=S1(=O)CC2(CC(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001157420605 1072155772 /nfs/dbraw/zinc/15/57/72/1072155772.db2.gz ANVNZSFOIDBAPA-UHFFFAOYSA-N 1 2 410.500 -1.044 20 0 HAADLO O=S1(=O)CC2(CC(Nc3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C2)C1 ZINC001157420605 1072155765 /nfs/dbraw/zinc/15/57/65/1072155765.db2.gz ANVNZSFOIDBAPA-UHFFFAOYSA-N 1 2 410.500 -1.044 20 0 HAADLO C[C@@H]1O[C@@H](OCCNC(=O)C[C@@H]([NH3+])C(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423090 1072156224 /nfs/dbraw/zinc/15/62/24/1072156224.db2.gz JSLOTQOJYTWNLB-IRASIMOISA-N 1 2 412.439 -1.593 20 0 HAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001157770656 1072158096 /nfs/dbraw/zinc/15/80/96/1072158096.db2.gz ONYVRPGEDAHHHU-AWEZNQCLSA-N 1 2 407.475 -1.162 20 0 HAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001157770656 1072158093 /nfs/dbraw/zinc/15/80/93/1072158093.db2.gz ONYVRPGEDAHHHU-AWEZNQCLSA-N 1 2 407.475 -1.162 20 0 HAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001157770657 1072158043 /nfs/dbraw/zinc/15/80/43/1072158043.db2.gz ONYVRPGEDAHHHU-CQSZACIVSA-N 1 2 407.475 -1.162 20 0 HAADLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC001157770657 1072158039 /nfs/dbraw/zinc/15/80/39/1072158039.db2.gz ONYVRPGEDAHHHU-CQSZACIVSA-N 1 2 407.475 -1.162 20 0 HAADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001158008153 1072159063 /nfs/dbraw/zinc/15/90/63/1072159063.db2.gz ZTSOSUQOQPKITH-MNXVOIDGSA-N 1 2 413.475 -2.116 20 0 HAADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001158008154 1072159317 /nfs/dbraw/zinc/15/93/17/1072159317.db2.gz ZTSOSUQOQPKITH-ZJQBRPOHSA-N 1 2 413.475 -2.116 20 0 HAADLO CN(C)S(=O)(=O)CCNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001158020909 1072159268 /nfs/dbraw/zinc/15/92/68/1072159268.db2.gz BXICDQIAQMRNRJ-UHFFFAOYSA-N 1 2 401.493 -1.730 20 0 HAADLO CN(C)S(=O)(=O)CCNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001158020909 1072159263 /nfs/dbraw/zinc/15/92/63/1072159263.db2.gz BXICDQIAQMRNRJ-UHFFFAOYSA-N 1 2 401.493 -1.730 20 0 HAADLO O=C(COCc1nnn2c1CN(C(=O)CN1CC[NH2+]CC1=O)CCC2)N1CCCC1 ZINC001158630718 1072163643 /nfs/dbraw/zinc/16/36/43/1072163643.db2.gz WRCAWJCLGUXLEG-UHFFFAOYSA-N 1 2 419.486 -1.419 20 0 HAADLO [NH3+]C1(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)COC1 ZINC001158683135 1072164292 /nfs/dbraw/zinc/16/42/92/1072164292.db2.gz VWVDXIZCIJSSJC-QWHCGFSZSA-N 1 2 409.468 -1.736 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158815208 1072166356 /nfs/dbraw/zinc/16/63/56/1072166356.db2.gz WLTGWPOTMJZMNC-GVDBMIGSSA-N 1 2 401.467 -1.007 20 0 HAADLO CCn1nnc2c1[C@H](C(=O)N1CCn3c(CN4CCOCC4)nnc3C1)C[NH2+]C2 ZINC001158821371 1072166227 /nfs/dbraw/zinc/16/62/27/1072166227.db2.gz JDRNYJAEJYGIDJ-CYBMUJFWSA-N 1 2 401.475 -1.049 20 0 HAADLO CCn1nnc2c1[C@@H](C(=O)N1CCn3c(CN4CCOCC4)nnc3C1)C[NH2+]C2 ZINC001158821372 1072166215 /nfs/dbraw/zinc/16/62/15/1072166215.db2.gz JDRNYJAEJYGIDJ-ZDUSSCGKSA-N 1 2 401.475 -1.049 20 0 HAADLO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001158884967 1072167686 /nfs/dbraw/zinc/16/76/86/1072167686.db2.gz QYOAEKZWVUKBOI-AAEUAGOBSA-N 1 2 403.447 -1.384 20 0 HAADLO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001158884968 1072167498 /nfs/dbraw/zinc/16/74/98/1072167498.db2.gz QYOAEKZWVUKBOI-YPMHNXCESA-N 1 2 403.447 -1.384 20 0 HAADLO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001158885766 1072167537 /nfs/dbraw/zinc/16/75/37/1072167537.db2.gz ZRGIBRHYKKEVJQ-AWEZNQCLSA-N 1 2 404.471 -1.035 20 0 HAADLO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001158885767 1072167568 /nfs/dbraw/zinc/16/75/68/1072167568.db2.gz ZRGIBRHYKKEVJQ-CQSZACIVSA-N 1 2 404.471 -1.035 20 0 HAADLO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001159075512 1072172227 /nfs/dbraw/zinc/17/22/27/1072172227.db2.gz PFXBXPUXALMUOI-UHFFFAOYSA-N 1 2 403.487 -1.876 20 0 HAADLO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CCC2 ZINC001159171581 1072174972 /nfs/dbraw/zinc/17/49/72/1072174972.db2.gz BEXXWWWZOYFBSU-ZDUSSCGKSA-N 1 2 417.474 -1.279 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H](NC(=O)c2cccnc2)[C@H]2OCCC[C@H]2C1 ZINC001159358011 1072179674 /nfs/dbraw/zinc/17/96/74/1072179674.db2.gz DNCLNCDAOHBPMY-AYDFFVQHSA-N 1 2 400.443 -1.100 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCc2cccs2)C1 ZINC001159424784 1072181463 /nfs/dbraw/zinc/18/14/63/1072181463.db2.gz CZDCNKYQIWIONN-BTJLNZGRSA-N 1 2 405.484 -1.035 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159428968 1072181431 /nfs/dbraw/zinc/18/14/31/1072181431.db2.gz WWHVZVYLEKELOG-BLLLJJGKSA-N 1 2 407.456 -1.208 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159428969 1072181365 /nfs/dbraw/zinc/18/13/65/1072181365.db2.gz WWHVZVYLEKELOG-LRDDRELGSA-N 1 2 407.456 -1.208 20 0 HAADLO CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159494195 1072185512 /nfs/dbraw/zinc/18/55/12/1072185512.db2.gz ZGBLMYGPBURZHS-ZDUSSCGKSA-N 1 2 422.486 -1.017 20 0 HAADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001159641797 1072189833 /nfs/dbraw/zinc/18/98/33/1072189833.db2.gz CDYCFDQPFBHVNT-FQEVSTJZSA-N 1 2 414.466 -1.320 20 0 HAADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001159641809 1072189917 /nfs/dbraw/zinc/18/99/17/1072189917.db2.gz CDYCFDQPFBHVNT-HXUWFJFHSA-N 1 2 414.466 -1.320 20 0 HAADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001159643904 1072189984 /nfs/dbraw/zinc/18/99/84/1072189984.db2.gz RLKHWJFZYWQENM-KBXCAEBGSA-N 1 2 413.442 -1.669 20 0 HAADLO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C2 ZINC001159643905 1072189896 /nfs/dbraw/zinc/18/98/96/1072189896.db2.gz RLKHWJFZYWQENM-KSSFIOAISA-N 1 2 413.442 -1.669 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159711539 1072191155 /nfs/dbraw/zinc/19/11/55/1072191155.db2.gz OBRCKSFJGDRNND-CQROYNQRSA-N 1 2 401.431 -1.705 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159711540 1072191190 /nfs/dbraw/zinc/19/11/90/1072191190.db2.gz OBRCKSFJGDRNND-GVUJHPQVSA-N 1 2 401.431 -1.705 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159711541 1072191077 /nfs/dbraw/zinc/19/10/77/1072191077.db2.gz OBRCKSFJGDRNND-GZCFXPHUSA-N 1 2 401.431 -1.705 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159711542 1072191120 /nfs/dbraw/zinc/19/11/20/1072191120.db2.gz OBRCKSFJGDRNND-MUYACECFSA-N 1 2 401.431 -1.705 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159715192 1072191868 /nfs/dbraw/zinc/19/18/68/1072191868.db2.gz YAIWVAYSKABKGX-DHSIGJKJSA-N 1 2 402.455 -1.356 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159715194 1072191910 /nfs/dbraw/zinc/19/19/10/1072191910.db2.gz YAIWVAYSKABKGX-JCKWVBRZSA-N 1 2 402.455 -1.356 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159715196 1072191916 /nfs/dbraw/zinc/19/19/16/1072191916.db2.gz YAIWVAYSKABKGX-JOQOYGCGSA-N 1 2 402.455 -1.356 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1CCO[C@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159715198 1072191921 /nfs/dbraw/zinc/19/19/21/1072191921.db2.gz YAIWVAYSKABKGX-YEWWUXTCSA-N 1 2 402.455 -1.356 20 0 HAADLO Cc1cn(CC(=O)NCCNc2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)c(=O)[nH]c1=O ZINC001159943243 1072194926 /nfs/dbraw/zinc/19/49/26/1072194926.db2.gz OFVCRUFIEHWHRK-GFCCVEGCSA-N 1 2 416.442 -1.270 20 0 HAADLO Cc1cn(CC(=O)NCCNc2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)c(=O)[nH]c1=O ZINC001159943243 1072194924 /nfs/dbraw/zinc/19/49/24/1072194924.db2.gz OFVCRUFIEHWHRK-GFCCVEGCSA-N 1 2 416.442 -1.270 20 0 HAADLO Cc1cn(CC(=O)NCCNc2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)c(=O)[nH]c1=O ZINC001159943244 1072194906 /nfs/dbraw/zinc/19/49/06/1072194906.db2.gz OFVCRUFIEHWHRK-LBPRGKRZSA-N 1 2 416.442 -1.270 20 0 HAADLO Cc1cn(CC(=O)NCCNc2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)c(=O)[nH]c1=O ZINC001159943244 1072194901 /nfs/dbraw/zinc/19/49/01/1072194901.db2.gz OFVCRUFIEHWHRK-LBPRGKRZSA-N 1 2 416.442 -1.270 20 0 HAADLO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)CN4CC[NH2+]CC4=O)CC[C@@H]32)cn1 ZINC001160076767 1072196849 /nfs/dbraw/zinc/19/68/49/1072196849.db2.gz CIKBHGZJCIYYRJ-HRCADAONSA-N 1 2 404.471 -1.555 20 0 HAADLO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)CC[C@@H]32)cn1 ZINC001160076955 1072196706 /nfs/dbraw/zinc/19/67/06/1072196706.db2.gz DXUXPAGIXLNEAV-XDQVBPFNSA-N 1 2 403.447 -1.904 20 0 HAADLO C[NH+]1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)nn2)CC1 ZINC001160086371 1072197985 /nfs/dbraw/zinc/19/79/85/1072197985.db2.gz GRPLVQDLGDFPNG-GAEVZRCVSA-N 1 2 418.458 -2.059 20 0 HAADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001160087021 1072198013 /nfs/dbraw/zinc/19/80/13/1072198013.db2.gz PHHIWTLRTJSCHC-SDBHATRESA-N 1 2 417.382 -1.592 20 0 HAADLO COC(=O)c1cc2c(ncnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH]1 ZINC001160087021 1072198006 /nfs/dbraw/zinc/19/80/06/1072198006.db2.gz PHHIWTLRTJSCHC-SDBHATRESA-N 1 2 417.382 -1.592 20 0 HAADLO COC(=O)c1c[nH]c2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c12 ZINC001160088190 1072199145 /nfs/dbraw/zinc/19/91/45/1072199145.db2.gz QOHVULYSIGNBCI-PMXXHBEXSA-N 1 2 417.382 -1.543 20 0 HAADLO C[NH+]1CCN(c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)n2)CC1 ZINC001160088440 1072198945 /nfs/dbraw/zinc/19/89/45/1072198945.db2.gz YKTROXVVVXACGQ-BDQAWRDZSA-N 1 2 417.470 -1.288 20 0 HAADLO CN1CCN(c2nccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)CC1 ZINC001160092292 1072199193 /nfs/dbraw/zinc/19/91/93/1072199193.db2.gz AQMCIBDKFOAHIB-RAEVTNRLSA-N 1 2 418.458 -1.893 20 0 HAADLO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]([NH3+])Cc2nn[nH]n2)O1 ZINC001160139091 1072200789 /nfs/dbraw/zinc/20/07/89/1072200789.db2.gz UZVJGHINSUEUJV-YJNKXOJESA-N 1 2 400.443 -1.119 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160299505 1072203202 /nfs/dbraw/zinc/20/32/02/1072203202.db2.gz ICHFOZJERAVGCD-SCLBCKFNSA-N 1 2 413.442 -1.082 20 0 HAADLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160299506 1072202989 /nfs/dbraw/zinc/20/29/89/1072202989.db2.gz ICHFOZJERAVGCD-UGSOOPFHSA-N 1 2 413.442 -1.082 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160342809 1072203502 /nfs/dbraw/zinc/20/35/02/1072203502.db2.gz DCVWTCHQSAOOKX-AWEZNQCLSA-N 1 2 412.454 -1.507 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160342810 1072203613 /nfs/dbraw/zinc/20/36/13/1072203613.db2.gz DCVWTCHQSAOOKX-CQSZACIVSA-N 1 2 412.454 -1.507 20 0 HAADLO COC(=O)[C@H]1C[C@H](C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)CC[NH2+]1 ZINC001160380841 1072204462 /nfs/dbraw/zinc/20/44/62/1072204462.db2.gz KWGOVOUTPQQXKH-CHWSQXEVSA-N 1 2 408.459 -1.234 20 0 HAADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)CC[NH2+]1 ZINC001160380843 1072204614 /nfs/dbraw/zinc/20/46/14/1072204614.db2.gz KWGOVOUTPQQXKH-OLZOCXBDSA-N 1 2 408.459 -1.234 20 0 HAADLO COC(=O)[C@H]1C[C@@H](C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)CC[NH2+]1 ZINC001160380844 1072204500 /nfs/dbraw/zinc/20/45/00/1072204500.db2.gz KWGOVOUTPQQXKH-QWHCGFSZSA-N 1 2 408.459 -1.234 20 0 HAADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)CC[NH2+]1 ZINC001160380845 1072205041 /nfs/dbraw/zinc/20/50/41/1072205041.db2.gz KWGOVOUTPQQXKH-STQMWFEESA-N 1 2 408.459 -1.234 20 0 HAADLO O=C(CN1CC[NH2+]CC1=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160399435 1072205643 /nfs/dbraw/zinc/20/56/43/1072205643.db2.gz SKMQFVUYCBAQFV-UHFFFAOYSA-N 1 2 402.455 -1.258 20 0 HAADLO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)CN1CC[NH2+]CC1=O)CC2 ZINC001160405175 1072206740 /nfs/dbraw/zinc/20/67/40/1072206740.db2.gz SRUQFCAEFCRVGB-UHFFFAOYSA-N 1 2 414.470 -1.637 20 0 HAADLO CCOC(=O)C1=C(O)CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160427715 1072207251 /nfs/dbraw/zinc/20/72/51/1072207251.db2.gz MUEHHYVMHWSYIU-IHRRRGAJSA-N 1 2 410.471 -1.188 20 0 HAADLO CCOC(=O)C1=C(O)CCN(C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160427716 1072207245 /nfs/dbraw/zinc/20/72/45/1072207245.db2.gz MUEHHYVMHWSYIU-MJBXVCDLSA-N 1 2 410.471 -1.188 20 0 HAADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628571 1072211079 /nfs/dbraw/zinc/21/10/79/1072211079.db2.gz KAMOFIXIZSYUMR-AVGNSLFASA-N 1 2 413.475 -2.000 20 0 HAADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O)C(=O)NCC(N)=O ZINC001160630531 1072211065 /nfs/dbraw/zinc/21/10/65/1072211065.db2.gz YBTOBJLXQZNBBE-KBPBESRZSA-N 1 2 424.502 -2.458 20 0 HAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001160656035 1072212395 /nfs/dbraw/zinc/21/23/95/1072212395.db2.gz GJEPNXMKRQVPSN-NCOADZHNSA-N 1 2 417.528 -1.832 20 0 HAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001160656040 1072212220 /nfs/dbraw/zinc/21/22/20/1072212220.db2.gz GJEPNXMKRQVPSN-QZWWFDLISA-N 1 2 417.528 -1.832 20 0 HAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001160656042 1072212303 /nfs/dbraw/zinc/21/23/03/1072212303.db2.gz GJEPNXMKRQVPSN-TWMKSMIVSA-N 1 2 417.528 -1.832 20 0 HAADLO O=C([C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001160656044 1072212243 /nfs/dbraw/zinc/21/22/43/1072212243.db2.gz GJEPNXMKRQVPSN-VQHPVUNQSA-N 1 2 417.528 -1.832 20 0 HAADLO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)C3)C2=O)cc1 ZINC001160964272 1072217371 /nfs/dbraw/zinc/21/73/71/1072217371.db2.gz OJDOLUPNXSKBGM-SCLBCKFNSA-N 1 2 414.426 -1.199 20 0 HAADLO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)C3)C2=O)cc1 ZINC001160964273 1072217403 /nfs/dbraw/zinc/21/74/03/1072217403.db2.gz OJDOLUPNXSKBGM-UGSOOPFHSA-N 1 2 414.426 -1.199 20 0 HAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001161274689 1072221810 /nfs/dbraw/zinc/22/18/10/1072221810.db2.gz AAIZPPMVFPWXDU-ARFHVFGLSA-N 1 2 415.512 -1.418 20 0 HAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001161274690 1072221829 /nfs/dbraw/zinc/22/18/29/1072221829.db2.gz AAIZPPMVFPWXDU-HRCADAONSA-N 1 2 415.512 -1.418 20 0 HAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001161274691 1072221782 /nfs/dbraw/zinc/22/17/82/1072221782.db2.gz AAIZPPMVFPWXDU-JYJNAYRXSA-N 1 2 415.512 -1.418 20 0 HAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001161274692 1072221801 /nfs/dbraw/zinc/22/18/01/1072221801.db2.gz AAIZPPMVFPWXDU-XHSDSOJGSA-N 1 2 415.512 -1.418 20 0 HAADLO CCn1nnc2c1[C@@H](C(=O)N1C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)C[NH2+]C2 ZINC001161506387 1072225232 /nfs/dbraw/zinc/22/52/32/1072225232.db2.gz HFEYZDQRMVEOJA-KBPBESRZSA-N 1 2 403.487 -1.120 20 0 HAADLO CCn1nnc2c1[C@H](C(=O)N1C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)C[NH2+]C2 ZINC001161506388 1072225066 /nfs/dbraw/zinc/22/50/66/1072225066.db2.gz HFEYZDQRMVEOJA-KGLIPLIRSA-N 1 2 403.487 -1.120 20 0 HAADLO CCn1nnc2c1[C@@H](C(=O)N1C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)C[NH2+]C2 ZINC001161506389 1072225041 /nfs/dbraw/zinc/22/50/41/1072225041.db2.gz HFEYZDQRMVEOJA-UONOGXRCSA-N 1 2 403.487 -1.120 20 0 HAADLO CCn1nnc2c1[C@H](C(=O)N1C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C1)C[NH2+]C2 ZINC001161506390 1072225017 /nfs/dbraw/zinc/22/50/17/1072225017.db2.gz HFEYZDQRMVEOJA-ZIAGYGMSSA-N 1 2 403.487 -1.120 20 0 HAADLO O=S1(=O)CCCN1CCNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001162776470 1072235581 /nfs/dbraw/zinc/23/55/81/1072235581.db2.gz SGEAOSLQMQYPSR-UHFFFAOYSA-N 1 2 413.504 -1.586 20 0 HAADLO O=S1(=O)CCCN1CCNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001162776470 1072235570 /nfs/dbraw/zinc/23/55/70/1072235570.db2.gz SGEAOSLQMQYPSR-UHFFFAOYSA-N 1 2 413.504 -1.586 20 0 HAADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001164160641 1072236726 /nfs/dbraw/zinc/23/67/26/1072236726.db2.gz MENIKODJQZRFKZ-GOSISDBHSA-N 1 2 412.531 -1.026 20 0 HAADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001164160642 1072236712 /nfs/dbraw/zinc/23/67/12/1072236712.db2.gz MENIKODJQZRFKZ-SFHVURJKSA-N 1 2 412.531 -1.026 20 0 HAADLO O=C1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC(=O)N1C1CC1 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CC(=O)N[C@H](CCO)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001182119555 1071811480 /nfs/dbraw/zinc/81/14/80/1071811480.db2.gz MMVBOWGAZWFSIP-OAHLLOKOSA-N 1 2 406.487 -1.421 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC1CC(=O)NC(=O)C1 ZINC001182180231 1071812026 /nfs/dbraw/zinc/81/20/26/1071812026.db2.gz SLNVTWAIKGDSFV-STQMWFEESA-N 1 2 404.427 -1.644 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC1CC(=O)NC(=O)C1 ZINC001182180231 1071812018 /nfs/dbraw/zinc/81/20/18/1071812018.db2.gz SLNVTWAIKGDSFV-STQMWFEESA-N 1 2 404.427 -1.644 20 0 HAADLO CN(CC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)S(C)(=O)=O ZINC001182878001 1071817013 /nfs/dbraw/zinc/81/70/13/1071817013.db2.gz CLXIMVFAEHJLNP-UHFFFAOYSA-N 1 2 412.516 -1.416 20 0 HAADLO CN(CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)S(C)(=O)=O ZINC001182880932 1071816880 /nfs/dbraw/zinc/81/68/80/1071816880.db2.gz BOOSAIAMXHBOOU-RYUDHWBXSA-N 1 2 400.461 -2.195 20 0 HAADLO 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20 0 HAADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186630977 1071839706 /nfs/dbraw/zinc/83/97/06/1071839706.db2.gz KPFNNYKHNWFJMW-MNXVOIDGSA-N 1 2 413.475 -2.164 20 0 HAADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186630977 1071839699 /nfs/dbraw/zinc/83/96/99/1071839699.db2.gz KPFNNYKHNWFJMW-MNXVOIDGSA-N 1 2 413.475 -2.164 20 0 HAADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186630978 1071839677 /nfs/dbraw/zinc/83/96/77/1071839677.db2.gz KPFNNYKHNWFJMW-ZJQBRPOHSA-N 1 2 413.475 -2.164 20 0 HAADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186630978 1071839668 /nfs/dbraw/zinc/83/96/68/1071839668.db2.gz KPFNNYKHNWFJMW-ZJQBRPOHSA-N 1 2 413.475 -2.164 20 0 HAADLO COCCn1c[nH+]cc1CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186634567 1071847667 /nfs/dbraw/zinc/84/76/67/1071847667.db2.gz ATGMPBYRJBLZLE-AVGNSLFASA-N 1 2 410.475 -1.320 20 0 HAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001186635361 1071847724 /nfs/dbraw/zinc/84/77/24/1071847724.db2.gz JDKJBKPKHDMFHW-IHRRRGAJSA-N 1 2 411.503 -1.499 20 0 HAADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001186669674 1071846403 /nfs/dbraw/zinc/84/64/03/1071846403.db2.gz QLMOBWMLSQMGNY-IKGGRYGDSA-N 1 2 423.514 -1.449 20 0 HAADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001186669674 1071846380 /nfs/dbraw/zinc/84/63/80/1071846380.db2.gz QLMOBWMLSQMGNY-IKGGRYGDSA-N 1 2 423.514 -1.449 20 0 HAADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001186669676 1071846254 /nfs/dbraw/zinc/84/62/54/1071846254.db2.gz QLMOBWMLSQMGNY-ULQDDVLXSA-N 1 2 423.514 -1.449 20 0 HAADLO CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001186669676 1071846248 /nfs/dbraw/zinc/84/62/48/1071846248.db2.gz QLMOBWMLSQMGNY-ULQDDVLXSA-N 1 2 423.514 -1.449 20 0 HAADLO CS(=O)(=O)c1cc(Br)ccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001186827667 1071851708 /nfs/dbraw/zinc/85/17/08/1071851708.db2.gz YCRUAKOMRPLKQM-GRYCIOLGSA-N 1 2 404.290 -1.015 20 0 HAADLO CS(=O)(=O)c1cc(Br)ccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001186827668 1071851552 /nfs/dbraw/zinc/85/15/52/1071851552.db2.gz YCRUAKOMRPLKQM-SDDRHHMPSA-N 1 2 404.290 -1.015 20 0 HAADLO CS(=O)(=O)c1cc(Br)ccc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001186827669 1071851801 /nfs/dbraw/zinc/85/18/01/1071851801.db2.gz YCRUAKOMRPLKQM-SRVKXCTJSA-N 1 2 404.290 -1.015 20 0 HAADLO CS(=O)(=O)c1cc(Br)ccc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001186827670 1071852377 /nfs/dbraw/zinc/85/23/77/1071852377.db2.gz YCRUAKOMRPLKQM-WOPDTQHZSA-N 1 2 404.290 -1.015 20 0 HAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187513137 1071854358 /nfs/dbraw/zinc/85/43/58/1071854358.db2.gz JVOUIKWKXPSJNM-BIENJYKASA-N 1 2 410.471 -1.364 20 0 HAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187513138 1071854631 /nfs/dbraw/zinc/85/46/31/1071854631.db2.gz JVOUIKWKXPSJNM-CKFHNAJUSA-N 1 2 410.471 -1.364 20 0 HAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187513139 1071854367 /nfs/dbraw/zinc/85/43/67/1071854367.db2.gz JVOUIKWKXPSJNM-NJSLBKSFSA-N 1 2 410.471 -1.364 20 0 HAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187513140 1071854441 /nfs/dbraw/zinc/85/44/41/1071854441.db2.gz JVOUIKWKXPSJNM-TYILLQQXSA-N 1 2 410.471 -1.364 20 0 HAADLO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001187516424 1071854492 /nfs/dbraw/zinc/85/44/92/1071854492.db2.gz DFNCEPOMEYYKSB-AWEZNQCLSA-N 1 2 413.438 -1.385 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187526236 1071856502 /nfs/dbraw/zinc/85/65/02/1071856502.db2.gz NVXPQSJSSSBAFR-AVGNSLFASA-N 1 2 419.442 -2.692 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187526236 1071856489 /nfs/dbraw/zinc/85/64/89/1071856489.db2.gz NVXPQSJSSSBAFR-AVGNSLFASA-N 1 2 419.442 -2.692 20 0 HAADLO C[N@H+]1[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187636375 1071856379 /nfs/dbraw/zinc/85/63/79/1071856379.db2.gz GMIXOSZKHBERIN-XKNLIPJKSA-N 1 2 408.451 -1.253 20 0 HAADLO C[N@@H+]1[C@@H](C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187636375 1071856367 /nfs/dbraw/zinc/85/63/67/1071856367.db2.gz GMIXOSZKHBERIN-XKNLIPJKSA-N 1 2 408.451 -1.253 20 0 HAADLO C[N@H+]1[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187636376 1071856552 /nfs/dbraw/zinc/85/65/52/1071856552.db2.gz GMIXOSZKHBERIN-YZWBUGPGSA-N 1 2 408.451 -1.253 20 0 HAADLO C[N@@H+]1[C@@H](C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187636376 1071856541 /nfs/dbraw/zinc/85/65/41/1071856541.db2.gz GMIXOSZKHBERIN-YZWBUGPGSA-N 1 2 408.451 -1.253 20 0 HAADLO Cn1c(=O)cc(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)n(C)c1=O ZINC001189428015 1071862845 /nfs/dbraw/zinc/86/28/45/1071862845.db2.gz CQZBVLBURQELCP-UHFFFAOYSA-N 1 2 411.422 -1.068 20 0 HAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189429914 1071862626 /nfs/dbraw/zinc/86/26/26/1071862626.db2.gz LXVSMGLDEULULK-BFUOFWGJSA-N 1 2 408.455 -1.048 20 0 HAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189429922 1071862790 /nfs/dbraw/zinc/86/27/90/1071862790.db2.gz LXVSMGLDEULULK-DJJJIMSYSA-N 1 2 408.455 -1.048 20 0 HAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189429925 1071862691 /nfs/dbraw/zinc/86/26/91/1071862691.db2.gz LXVSMGLDEULULK-ORAYPTAESA-N 1 2 408.455 -1.048 20 0 HAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189429927 1071862818 /nfs/dbraw/zinc/86/28/18/1071862818.db2.gz LXVSMGLDEULULK-YJYMSZOUSA-N 1 2 408.455 -1.048 20 0 HAADLO Cn1c(=O)cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n(C)c1=O ZINC001189441512 1071863457 /nfs/dbraw/zinc/86/34/57/1071863457.db2.gz AFOXTXVAPNNHIV-RYUDHWBXSA-N 1 2 417.426 -2.376 20 0 HAADLO Cn1c(=O)cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n(C)c1=O ZINC001189441512 1071863444 /nfs/dbraw/zinc/86/34/44/1071863444.db2.gz AFOXTXVAPNNHIV-RYUDHWBXSA-N 1 2 417.426 -2.376 20 0 HAADLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001190866015 1071868304 /nfs/dbraw/zinc/86/83/04/1071868304.db2.gz NFWAMAQMFBMWIM-HGJKNBTDSA-N 1 2 409.483 -1.646 20 0 HAADLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)cc2)CC1 ZINC001190866017 1071868485 /nfs/dbraw/zinc/86/84/85/1071868485.db2.gz NFWAMAQMFBMWIM-VBEQINLCSA-N 1 2 409.483 -1.646 20 0 HAADLO CN1CC[C@H]([NH+]2CCC(NS(=O)(=O)CC3CN(S(C)(=O)=O)C3)CC2)C1=O ZINC001191810792 1071871261 /nfs/dbraw/zinc/87/12/61/1071871261.db2.gz QYSSGDYBCLJIHX-AWEZNQCLSA-N 1 2 408.546 -1.508 20 0 HAADLO CN1CC[C@@H]([NH+]2CCC(NS(=O)(=O)CC3CN(S(C)(=O)=O)C3)CC2)C1=O ZINC001191810793 1071871295 /nfs/dbraw/zinc/87/12/95/1071871295.db2.gz QYSSGDYBCLJIHX-CQSZACIVSA-N 1 2 408.546 -1.508 20 0 HAADLO Cc1nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)[nH]c1C ZINC001193979545 1071877647 /nfs/dbraw/zinc/87/76/47/1071877647.db2.gz VIROSZUXGTUPDA-STQMWFEESA-N 1 2 401.427 -1.073 20 0 HAADLO Cc1nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)[nH]c1C ZINC001193979545 1071877642 /nfs/dbraw/zinc/87/76/42/1071877642.db2.gz VIROSZUXGTUPDA-STQMWFEESA-N 1 2 401.427 -1.073 20 0 HAADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195533607 1071882036 /nfs/dbraw/zinc/88/20/36/1071882036.db2.gz CBQJWTWMCBLRFB-BFUOFWGJSA-N 1 2 408.455 -1.048 20 0 HAADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195533609 1071882555 /nfs/dbraw/zinc/88/25/55/1071882555.db2.gz CBQJWTWMCBLRFB-DJJJIMSYSA-N 1 2 408.455 -1.048 20 0 HAADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195533611 1071882699 /nfs/dbraw/zinc/88/26/99/1071882699.db2.gz CBQJWTWMCBLRFB-ORAYPTAESA-N 1 2 408.455 -1.048 20 0 HAADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195533616 1071882605 /nfs/dbraw/zinc/88/26/05/1071882605.db2.gz CBQJWTWMCBLRFB-YJYMSZOUSA-N 1 2 408.455 -1.048 20 0 HAADLO Cn1cc(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c(=O)n(C)c1=O ZINC001195534594 1071882472 /nfs/dbraw/zinc/88/24/72/1071882472.db2.gz NSNOYKLOHGZLHP-UHFFFAOYSA-N 1 2 411.422 -1.068 20 0 HAADLO Cn1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)n(C)c1=O ZINC001195550347 1071881976 /nfs/dbraw/zinc/88/19/76/1071881976.db2.gz RBWJWNPTMPNZMA-STQMWFEESA-N 1 2 417.426 -2.376 20 0 HAADLO NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)o1 ZINC001196209340 1071885104 /nfs/dbraw/zinc/88/51/04/1071885104.db2.gz BFOIHEXRZCVYDW-RYUDHWBXSA-N 1 2 416.394 -1.721 20 0 HAADLO NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)o1 ZINC001196209340 1071885094 /nfs/dbraw/zinc/88/50/94/1071885094.db2.gz BFOIHEXRZCVYDW-RYUDHWBXSA-N 1 2 416.394 -1.721 20 0 HAADLO COC(=O)C1(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC001208310424 1072238784 /nfs/dbraw/zinc/23/87/84/1072238784.db2.gz AMSBFOBTCCPOHJ-UHFFFAOYSA-N 1 2 424.545 -1.478 20 0 HAADLO Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC001208310862 1072238751 /nfs/dbraw/zinc/23/87/51/1072238751.db2.gz HKUFONKFSAWHAJ-UHFFFAOYSA-N 1 2 406.534 -1.473 20 0 HAADLO CCN1C[C@@]23C[N@@H+](C[C@@H]4OC(C)(C)O[C@@H]4[C@H](O)CO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001209274821 1072239413 /nfs/dbraw/zinc/23/94/13/1072239413.db2.gz SNTPSHTUOIAQCS-IXYRMGKJSA-N 1 2 406.501 -1.263 20 0 HAADLO CCN1C[C@@]23C[N@H+](C[C@@H]4OC(C)(C)O[C@@H]4[C@H](O)CO)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001209274821 1072239408 /nfs/dbraw/zinc/23/94/08/1072239408.db2.gz SNTPSHTUOIAQCS-IXYRMGKJSA-N 1 2 406.501 -1.263 20 0 HAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)O1 ZINC001209275542 1072239445 /nfs/dbraw/zinc/23/94/45/1072239445.db2.gz ZRARNFSWUABWHG-FFWIBEFTSA-N 1 2 400.472 -1.192 20 0 HAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)O1 ZINC001209275542 1072239436 /nfs/dbraw/zinc/23/94/36/1072239436.db2.gz ZRARNFSWUABWHG-FFWIBEFTSA-N 1 2 400.472 -1.192 20 0 HAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)O1 ZINC001209275545 1072239218 /nfs/dbraw/zinc/23/92/18/1072239218.db2.gz ZRARNFSWUABWHG-IZKTWJBDSA-N 1 2 400.472 -1.192 20 0 HAADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)O1 ZINC001209275545 1072239214 /nfs/dbraw/zinc/23/92/14/1072239214.db2.gz ZRARNFSWUABWHG-IZKTWJBDSA-N 1 2 400.472 -1.192 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCOC[C@H]1O ZINC001211155149 1072239829 /nfs/dbraw/zinc/23/98/29/1072239829.db2.gz TVWKGVHCOMWUQI-HUUCEWRRSA-N 1 2 413.500 -1.018 20 0 HAADLO [NH3+]CCOCCOCCOCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001217842047 1072242889 /nfs/dbraw/zinc/24/28/89/1072242889.db2.gz XOGADQWXWIZFEM-HNNXBMFYSA-N 1 2 400.494 -1.400 20 0 HAADLO [NH3+]CCOCCOCCOCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001217842055 1072242920 /nfs/dbraw/zinc/24/29/20/1072242920.db2.gz XOGADQWXWIZFEM-OAHLLOKOSA-N 1 2 400.494 -1.400 20 0 HAADLO NC(=O)c1cc(I)cnc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001218675421 1072247386 /nfs/dbraw/zinc/24/73/86/1072247386.db2.gz QRLBKRCHBRONNR-LURJTMIESA-N 1 2 402.156 -1.193 20 0 HAADLO COc1nccn(C(=O)CN2CC[NH2+]CC2=O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874391 1072253140 /nfs/dbraw/zinc/25/31/40/1072253140.db2.gz BFMCRHUMVUXTOT-UHFFFAOYSA-N 1 2 420.451 -1.165 20 0 HAADLO C[C@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)COCC[NH2+]1 ZINC001218876709 1072253569 /nfs/dbraw/zinc/25/35/69/1072253569.db2.gz LRMHWYJZZNQAIJ-GFCCVEGCSA-N 1 2 412.877 -1.048 20 0 HAADLO C[C@@]1(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)COCC[NH2+]1 ZINC001218876711 1072253498 /nfs/dbraw/zinc/25/34/98/1072253498.db2.gz LRMHWYJZZNQAIJ-LBPRGKRZSA-N 1 2 412.877 -1.048 20 0 HAADLO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1Cl ZINC001218878291 1072254042 /nfs/dbraw/zinc/25/40/42/1072254042.db2.gz BOKQKEFGMCYSCL-YFKPBYRVSA-N 1 2 424.852 -2.344 20 0 HAADLO C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001218926403 1072254657 /nfs/dbraw/zinc/25/46/57/1072254657.db2.gz IMIJRMWSEOEKGF-XVKPBYJWSA-N 1 2 414.382 -1.381 20 0 HAADLO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]([NH3+])Cc2nnn[n-]2)cc1 ZINC001218987026 1072255376 /nfs/dbraw/zinc/25/53/76/1072255376.db2.gz TYDWUADSOGNKEL-HNNXBMFYSA-N 1 2 401.475 -1.082 20 0 HAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220188889 1072264500 /nfs/dbraw/zinc/26/45/00/1072264500.db2.gz IVCKKTRKRLPPON-MRBYEJRBSA-N 1 2 405.446 -1.119 20 0 HAADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220188896 1072264468 /nfs/dbraw/zinc/26/44/68/1072264468.db2.gz IVCKKTRKRLPPON-ZPFDUUQYSA-N 1 2 405.446 -1.119 20 0 HAADLO O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220550606 1072270455 /nfs/dbraw/zinc/27/04/55/1072270455.db2.gz APXVPDPNXUWSIF-ZDUSSCGKSA-N 1 2 416.442 -1.459 20 0 HAADLO O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220550606 1072270451 /nfs/dbraw/zinc/27/04/51/1072270451.db2.gz APXVPDPNXUWSIF-ZDUSSCGKSA-N 1 2 416.442 -1.459 20 0 HAADLO O=C(CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001220550700 1072270137 /nfs/dbraw/zinc/27/01/37/1072270137.db2.gz FPIQFERVKOTJPG-KKUMJFAQSA-N 1 2 420.470 -1.229 20 0 HAADLO O=C(CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220550700 1072270129 /nfs/dbraw/zinc/27/01/29/1072270129.db2.gz FPIQFERVKOTJPG-KKUMJFAQSA-N 1 2 420.470 -1.229 20 0 HAADLO C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])COC1(C)C ZINC001220550776 1072270267 /nfs/dbraw/zinc/27/02/67/1072270267.db2.gz ITSCWJYUAIWXGS-DRZSPHRISA-N 1 2 424.458 -1.661 20 0 HAADLO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001220550793 1072270390 /nfs/dbraw/zinc/27/03/90/1072270390.db2.gz JIYVAQOWENMVIY-NSHDSACASA-N 1 2 404.449 -2.752 20 0 HAADLO CS(=O)(=O)N(CC[NH3+])CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220550793 1072270388 /nfs/dbraw/zinc/27/03/88/1072270388.db2.gz JIYVAQOWENMVIY-NSHDSACASA-N 1 2 404.449 -2.752 20 0 HAADLO O=C(CCNC(=O)[C@H]1CCS(=O)(=O)C12C[NH2+]C2)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220550986 1072270411 /nfs/dbraw/zinc/27/04/11/1072270411.db2.gz ODOSWOQYQAXHEU-NEPJUHHUSA-N 1 2 413.456 -2.195 20 0 HAADLO O=C(CCNC(=O)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001220550988 1072270351 /nfs/dbraw/zinc/27/03/51/1072270351.db2.gz ODOSWOQYQAXHEU-RYUDHWBXSA-N 1 2 413.456 -2.195 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCOC[C@H]1CO ZINC001220580612 1072271026 /nfs/dbraw/zinc/27/10/26/1072271026.db2.gz SIYKHMJMZKYZGA-OAHLLOKOSA-N 1 2 413.500 -1.064 20 0 HAADLO CCn1nnc2c1[C@@H](C(=O)N[C@H]1C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]1CO)C[NH2+]C2 ZINC001220966775 1072274429 /nfs/dbraw/zinc/27/44/29/1072274429.db2.gz FPNWLDKDKODSEZ-CDGCEXEKSA-N 1 2 419.442 -1.480 20 0 HAADLO CCn1nnc2c1[C@H](C(=O)N[C@H]1C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]1CO)C[NH2+]C2 ZINC001220966776 1072274344 /nfs/dbraw/zinc/27/43/44/1072274344.db2.gz FPNWLDKDKODSEZ-ZMJPVWNMSA-N 1 2 419.442 -1.480 20 0 HAADLO COC(=O)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CC[NH2+]1 ZINC001220967298 1072275208 /nfs/dbraw/zinc/27/52/08/1072275208.db2.gz ZPXKUFPYCOKECI-MBJXGIAVSA-N 1 2 410.427 -1.437 20 0 HAADLO COC(=O)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CC[NH2+]1 ZINC001220967299 1072275107 /nfs/dbraw/zinc/27/51/07/1072275107.db2.gz ZPXKUFPYCOKECI-ODXJTPSBSA-N 1 2 410.427 -1.437 20 0 HAADLO COC(=O)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CC[NH2+]1 ZINC001220967300 1072275095 /nfs/dbraw/zinc/27/50/95/1072275095.db2.gz ZPXKUFPYCOKECI-QSLWVIQJSA-N 1 2 410.427 -1.437 20 0 HAADLO COC(=O)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)CC[NH2+]1 ZINC001220967301 1072275045 /nfs/dbraw/zinc/27/50/45/1072275045.db2.gz ZPXKUFPYCOKECI-XVIXHAIJSA-N 1 2 410.427 -1.437 20 0 HAADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1(F)C[NH2+]C1)C(N)=O ZINC001221232996 1072276994 /nfs/dbraw/zinc/27/69/94/1072276994.db2.gz QVLXLAPPQOZREU-RYUDHWBXSA-N 1 2 419.523 -1.332 20 0 HAADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1([NH3+])COC1)C(N)=O ZINC001221235116 1072276944 /nfs/dbraw/zinc/27/69/44/1072276944.db2.gz RRGLTFMTGDXCOA-RYUDHWBXSA-N 1 2 417.532 -1.916 20 0 HAADLO CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)[C@@H]([NH3+])Cc1nn[nH]n1 ZINC001221256973 1072277698 /nfs/dbraw/zinc/27/76/98/1072277698.db2.gz SXXYWKRPPWEJQT-ZDUSSCGKSA-N 1 2 416.479 -1.033 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1c(N)nn2cccnc12 ZINC001221348526 1072279872 /nfs/dbraw/zinc/27/98/72/1072279872.db2.gz LCNDMAMIYUOJPW-RYUDHWBXSA-N 1 2 411.426 -1.148 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1c(N)nn2cccnc12 ZINC001221348526 1072279857 /nfs/dbraw/zinc/27/98/57/1072279857.db2.gz LCNDMAMIYUOJPW-RYUDHWBXSA-N 1 2 411.426 -1.148 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cccc(N)c1=O ZINC001221349133 1072279786 /nfs/dbraw/zinc/27/97/86/1072279786.db2.gz RINAAOXPBSXMJF-KBPBESRZSA-N 1 2 401.427 -1.643 20 0 HAADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cccc(N)c1=O ZINC001221349133 1072279770 /nfs/dbraw/zinc/27/97/70/1072279770.db2.gz RINAAOXPBSXMJF-KBPBESRZSA-N 1 2 401.427 -1.643 20 0 HAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349613 1072280721 /nfs/dbraw/zinc/28/07/21/1072280721.db2.gz ZLHVBXIGSGYWDL-TXDCLXLTSA-N 1 2 420.470 -1.955 20 0 HAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349613 1072280717 /nfs/dbraw/zinc/28/07/17/1072280717.db2.gz ZLHVBXIGSGYWDL-TXDCLXLTSA-N 1 2 420.470 -1.955 20 0 HAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349614 1072280581 /nfs/dbraw/zinc/28/05/81/1072280581.db2.gz ZLHVBXIGSGYWDL-VZAFDTFASA-N 1 2 420.470 -1.955 20 0 HAADLO C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349614 1072280576 /nfs/dbraw/zinc/28/05/76/1072280576.db2.gz ZLHVBXIGSGYWDL-VZAFDTFASA-N 1 2 420.470 -1.955 20 0 HAADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001221551021 1072282610 /nfs/dbraw/zinc/28/26/10/1072282610.db2.gz NCPMZRWCYHEIHV-KRWDZBQOSA-N 1 2 420.532 -1.437 20 0 HAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001221551021 1072282608 /nfs/dbraw/zinc/28/26/08/1072282608.db2.gz NCPMZRWCYHEIHV-KRWDZBQOSA-N 1 2 420.532 -1.437 20 0 HAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001221551022 1072282786 /nfs/dbraw/zinc/28/27/86/1072282786.db2.gz NCPMZRWCYHEIHV-QGZVFWFLSA-N 1 2 420.532 -1.437 20 0 HAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001221551022 1072282779 /nfs/dbraw/zinc/28/27/79/1072282779.db2.gz NCPMZRWCYHEIHV-QGZVFWFLSA-N 1 2 420.532 -1.437 20 0 HAADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001224821893 1072284827 /nfs/dbraw/zinc/28/48/27/1072284827.db2.gz VCMBFNBWLPGPTD-DZGCQCFKSA-N 1 2 405.546 -1.262 20 0 HAADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001224821895 1072284999 /nfs/dbraw/zinc/28/49/99/1072284999.db2.gz VCMBFNBWLPGPTD-HIFRSBDPSA-N 1 2 405.546 -1.262 20 0 HAADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001224821896 1072284927 /nfs/dbraw/zinc/28/49/27/1072284927.db2.gz VCMBFNBWLPGPTD-UKRRQHHQSA-N 1 2 405.546 -1.262 20 0 HAADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001224821898 1072285044 /nfs/dbraw/zinc/28/50/44/1072285044.db2.gz VCMBFNBWLPGPTD-ZFWWWQNUSA-N 1 2 405.546 -1.262 20 0 HAADLO COCCOCC[NH+]1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001225331505 1072284860 /nfs/dbraw/zinc/28/48/60/1072284860.db2.gz AGCOODWSRBWTOY-UHFFFAOYSA-N 1 2 408.521 -1.361 20 0 HAADLO CCOC(=O)COCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001228565960 1072287163 /nfs/dbraw/zinc/28/71/63/1072287163.db2.gz SUQJQCCLHPIUHP-UHFFFAOYSA-N 1 2 421.520 -1.615 20 0 HAADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(Cc1cn(C)c(=O)n(C)c1=O)CC2 ZINC001231766646 1072288595 /nfs/dbraw/zinc/28/85/95/1072288595.db2.gz CDTMBABBNCKUFT-UHFFFAOYSA-N 1 2 415.498 -1.237 20 0 HAADLO CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001231767815 1072288695 /nfs/dbraw/zinc/28/86/95/1072288695.db2.gz LXTQKPOCXQMUDV-UHFFFAOYSA-N 1 2 417.470 -1.182 20 0 HAADLO CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001231767815 1072288687 /nfs/dbraw/zinc/28/86/87/1072288687.db2.gz LXTQKPOCXQMUDV-UHFFFAOYSA-N 1 2 417.470 -1.182 20 0 HAADLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001231769141 1072289194 /nfs/dbraw/zinc/28/91/94/1072289194.db2.gz FLLUGXKMGOPDKL-UHFFFAOYSA-N 1 2 418.454 -1.691 20 0 HAADLO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001231769141 1072289190 /nfs/dbraw/zinc/28/91/90/1072289190.db2.gz FLLUGXKMGOPDKL-UHFFFAOYSA-N 1 2 418.454 -1.691 20 0 HAADLO CN(C)c1ncc2c(n1)[C@H]1C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C[C@H]1S(=O)(=O)C2 ZINC001231769324 1072289208 /nfs/dbraw/zinc/28/92/08/1072289208.db2.gz GWJBZGWJAOYXBF-UONOGXRCSA-N 1 2 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SDQOFFDDNQMLNG-GJZGRUSLSA-N 1 2 410.471 -1.553 20 0 HAADLO COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC001293903155 1072354143 /nfs/dbraw/zinc/35/41/43/1072354143.db2.gz SDQOFFDDNQMLNG-HUUCEWRRSA-N 1 2 410.471 -1.553 20 0 HAADLO COC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC001293903156 1072354020 /nfs/dbraw/zinc/35/40/20/1072354020.db2.gz SDQOFFDDNQMLNG-LSDHHAIUSA-N 1 2 410.471 -1.553 20 0 HAADLO O=C(CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001293906017 1072353941 /nfs/dbraw/zinc/35/39/41/1072353941.db2.gz LESNFIRFRAOJLA-CABCVRRESA-N 1 2 409.512 -1.107 20 0 HAADLO O=C(CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001293906018 1072354583 /nfs/dbraw/zinc/35/45/83/1072354583.db2.gz LESNFIRFRAOJLA-GJZGRUSLSA-N 1 2 409.512 -1.107 20 0 HAADLO O=C(CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001293906019 1072354500 /nfs/dbraw/zinc/35/45/00/1072354500.db2.gz LESNFIRFRAOJLA-HUUCEWRRSA-N 1 2 409.512 -1.107 20 0 HAADLO O=C(CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001293906020 1072354658 /nfs/dbraw/zinc/35/46/58/1072354658.db2.gz LESNFIRFRAOJLA-LSDHHAIUSA-N 1 2 409.512 -1.107 20 0 HAADLO NC(=O)c1cn(CCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001294690905 1072355186 /nfs/dbraw/zinc/35/51/86/1072355186.db2.gz NBBOBQOHYAAVKX-CYBMUJFWSA-N 1 2 409.443 -1.612 20 0 HAADLO NC(=O)c1cn(CCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001294690906 1072354955 /nfs/dbraw/zinc/35/49/55/1072354955.db2.gz NBBOBQOHYAAVKX-ZDUSSCGKSA-N 1 2 409.443 -1.612 20 0 HAADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001295427549 1072355724 /nfs/dbraw/zinc/35/57/24/1072355724.db2.gz IBANNCZMWFKKLO-AEGPPILISA-N 1 2 413.496 -1.082 20 0 HAADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001295427551 1072355594 /nfs/dbraw/zinc/35/55/94/1072355594.db2.gz IBANNCZMWFKKLO-BPLDGKMQSA-N 1 2 413.496 -1.082 20 0 HAADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001295427553 1072355697 /nfs/dbraw/zinc/35/56/97/1072355697.db2.gz IBANNCZMWFKKLO-NWANDNLSSA-N 1 2 413.496 -1.082 20 0 HAADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001295427555 1072355511 /nfs/dbraw/zinc/35/55/11/1072355511.db2.gz IBANNCZMWFKKLO-VHDGCEQUSA-N 1 2 413.496 -1.082 20 0 HAADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001295496498 1072356218 /nfs/dbraw/zinc/35/62/18/1072356218.db2.gz JDKFIXRSTZFZJK-UHFFFAOYSA-N 1 2 414.484 -1.459 20 0 HAADLO COCC(COC)[NH+]1CCN(C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)CC1 ZINC001299319267 1071656844 /nfs/dbraw/zinc/65/68/44/1071656844.db2.gz QQLGGBSHLHKTMW-UHFFFAOYSA-N 1 2 401.489 -1.064 20 0 HAADLO Cc1nnc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1C ZINC001300163385 1072488952 /nfs/dbraw/zinc/48/89/52/1072488952.db2.gz RKOGDGWIBGUKDG-INIZCTEOSA-N 1 2 405.503 -1.047 20 0 HAADLO Cc1nnc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1C ZINC001300163391 1072488779 /nfs/dbraw/zinc/48/87/79/1072488779.db2.gz RKOGDGWIBGUKDG-MRXNPFEDSA-N 1 2 405.503 -1.047 20 0 HAADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1S(C)(=O)=O ZINC001300821693 1072361143 /nfs/dbraw/zinc/36/11/43/1072361143.db2.gz UARMAEITIAOXTF-CABCVRRESA-N 1 2 402.517 -1.341 20 0 HAADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1S(C)(=O)=O ZINC001300821694 1072361115 /nfs/dbraw/zinc/36/11/15/1072361115.db2.gz UARMAEITIAOXTF-HUUCEWRRSA-N 1 2 402.517 -1.341 20 0 HAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001300987054 1072361817 /nfs/dbraw/zinc/36/18/17/1072361817.db2.gz QBYQSTBREGKTFV-CXAGYDPISA-N 1 2 415.516 -1.181 20 0 HAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001300987054 1072361808 /nfs/dbraw/zinc/36/18/08/1072361808.db2.gz QBYQSTBREGKTFV-CXAGYDPISA-N 1 2 415.516 -1.181 20 0 HAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001300987056 1072361585 /nfs/dbraw/zinc/36/15/85/1072361585.db2.gz QBYQSTBREGKTFV-DYVFJYSZSA-N 1 2 415.516 -1.181 20 0 HAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001300987056 1072361575 /nfs/dbraw/zinc/36/15/75/1072361575.db2.gz QBYQSTBREGKTFV-DYVFJYSZSA-N 1 2 415.516 -1.181 20 0 HAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001300987058 1072361878 /nfs/dbraw/zinc/36/18/78/1072361878.db2.gz QBYQSTBREGKTFV-GUYCJALGSA-N 1 2 415.516 -1.181 20 0 HAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001300987058 1072361868 /nfs/dbraw/zinc/36/18/68/1072361868.db2.gz QBYQSTBREGKTFV-GUYCJALGSA-N 1 2 415.516 -1.181 20 0 HAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001300987060 1072361712 /nfs/dbraw/zinc/36/17/12/1072361712.db2.gz QBYQSTBREGKTFV-SUMWQHHRSA-N 1 2 415.516 -1.181 20 0 HAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001300987060 1072361703 /nfs/dbraw/zinc/36/17/03/1072361703.db2.gz QBYQSTBREGKTFV-SUMWQHHRSA-N 1 2 415.516 -1.181 20 0 HAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001301180159 1072362282 /nfs/dbraw/zinc/36/22/82/1072362282.db2.gz YOVOUMPWLVDTCL-KBPBESRZSA-N 1 2 401.485 -1.413 20 0 HAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001301180159 1072362269 /nfs/dbraw/zinc/36/22/69/1072362269.db2.gz YOVOUMPWLVDTCL-KBPBESRZSA-N 1 2 401.485 -1.413 20 0 HAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001301180180 1072362367 /nfs/dbraw/zinc/36/23/67/1072362367.db2.gz YOVOUMPWLVDTCL-KGLIPLIRSA-N 1 2 401.485 -1.413 20 0 HAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001301180180 1072362353 /nfs/dbraw/zinc/36/23/53/1072362353.db2.gz YOVOUMPWLVDTCL-KGLIPLIRSA-N 1 2 401.485 -1.413 20 0 HAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001301180182 1072362318 /nfs/dbraw/zinc/36/23/18/1072362318.db2.gz YOVOUMPWLVDTCL-UONOGXRCSA-N 1 2 401.485 -1.413 20 0 HAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001301180182 1072362306 /nfs/dbraw/zinc/36/23/06/1072362306.db2.gz YOVOUMPWLVDTCL-UONOGXRCSA-N 1 2 401.485 -1.413 20 0 HAADLO O=C(NCC[N@H+]1CCC2(C1)OCCO2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001301180183 1072362431 /nfs/dbraw/zinc/36/24/31/1072362431.db2.gz YOVOUMPWLVDTCL-ZIAGYGMSSA-N 1 2 401.485 -1.413 20 0 HAADLO O=C(NCC[N@@H+]1CCC2(C1)OCCO2)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001301180183 1072362422 /nfs/dbraw/zinc/36/24/22/1072362422.db2.gz YOVOUMPWLVDTCL-ZIAGYGMSSA-N 1 2 401.485 -1.413 20 0 HAADLO Cn1cc([C@@H]2[C@@H](C(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001301735585 1072363350 /nfs/dbraw/zinc/36/33/50/1072363350.db2.gz AQWRDXAVQHJNNH-QBPKDAKJSA-N 1 2 407.471 -1.530 20 0 HAADLO Cn1cc([C@@H]2[C@@H](C(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)[C@@H](O)C(=O)N2C)cn1 ZINC001301735586 1072363424 /nfs/dbraw/zinc/36/34/24/1072363424.db2.gz AQWRDXAVQHJNNH-YLFCFFPRSA-N 1 2 407.471 -1.530 20 0 HAADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001301762715 1072363309 /nfs/dbraw/zinc/36/33/09/1072363309.db2.gz ADZZORXLEKLZTK-UHFFFAOYSA-N 1 2 406.535 -1.039 20 0 HAADLO COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001302820092 1072365413 /nfs/dbraw/zinc/36/54/13/1072365413.db2.gz WQNQTFCRINDESU-CABCVRRESA-N 1 2 413.471 -1.022 20 0 HAADLO COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001302820096 1072365368 /nfs/dbraw/zinc/36/53/68/1072365368.db2.gz WQNQTFCRINDESU-GJZGRUSLSA-N 1 2 413.471 -1.022 20 0 HAADLO COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001302820097 1072365819 /nfs/dbraw/zinc/36/58/19/1072365819.db2.gz WQNQTFCRINDESU-HUUCEWRRSA-N 1 2 413.471 -1.022 20 0 HAADLO COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001302820099 1072365696 /nfs/dbraw/zinc/36/56/96/1072365696.db2.gz WQNQTFCRINDESU-LSDHHAIUSA-N 1 2 413.471 -1.022 20 0 HAADLO COCCn1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001302943164 1072365796 /nfs/dbraw/zinc/36/57/96/1072365796.db2.gz SJFDQRTWXAPFEM-AWEZNQCLSA-N 1 2 423.470 -1.608 20 0 HAADLO COCCn1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(=O)[nH]c1=O ZINC001302943165 1072366376 /nfs/dbraw/zinc/36/63/76/1072366376.db2.gz SJFDQRTWXAPFEM-CQSZACIVSA-N 1 2 423.470 -1.608 20 0 HAADLO Cn1ncnc1C1(O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001303238758 1072366395 /nfs/dbraw/zinc/36/63/95/1072366395.db2.gz MXLFFFDLGMDMMK-HNNXBMFYSA-N 1 2 406.487 -1.194 20 0 HAADLO Cn1ncnc1C1(O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001303238760 1072366279 /nfs/dbraw/zinc/36/62/79/1072366279.db2.gz MXLFFFDLGMDMMK-OAHLLOKOSA-N 1 2 406.487 -1.194 20 0 HAADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001303757834 1072367637 /nfs/dbraw/zinc/36/76/37/1072367637.db2.gz ORURDKSLIDRQJQ-CYBMUJFWSA-N 1 2 424.545 -1.659 20 0 HAADLO CS(C)(=O)=NS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001303757835 1072367626 /nfs/dbraw/zinc/36/76/26/1072367626.db2.gz ORURDKSLIDRQJQ-ZDUSSCGKSA-N 1 2 424.545 -1.659 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001303884817 1072368970 /nfs/dbraw/zinc/36/89/70/1072368970.db2.gz GPNRPIXARJMVNW-CYBMUJFWSA-N 1 2 413.500 -1.568 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001303884817 1072368959 /nfs/dbraw/zinc/36/89/59/1072368959.db2.gz GPNRPIXARJMVNW-CYBMUJFWSA-N 1 2 413.500 -1.568 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001303884818 1072368905 /nfs/dbraw/zinc/36/89/05/1072368905.db2.gz GPNRPIXARJMVNW-ZDUSSCGKSA-N 1 2 413.500 -1.568 20 0 HAADLO 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O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001303993704 1072368846 /nfs/dbraw/zinc/36/88/46/1072368846.db2.gz CXOOSSWDACIDHU-KBPBESRZSA-N 1 2 401.489 -2.472 20 0 HAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001303993705 1072368800 /nfs/dbraw/zinc/36/88/00/1072368800.db2.gz CXOOSSWDACIDHU-KGLIPLIRSA-N 1 2 401.489 -2.472 20 0 HAADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001303993706 1072368872 /nfs/dbraw/zinc/36/88/72/1072368872.db2.gz CXOOSSWDACIDHU-UONOGXRCSA-N 1 2 401.489 -2.472 20 0 HAADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001303993707 1072369145 /nfs/dbraw/zinc/36/91/45/1072369145.db2.gz CXOOSSWDACIDHU-ZIAGYGMSSA-N 1 2 401.489 -2.472 20 0 HAADLO Cc1cc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc(S(C)(=O)=O)n1 ZINC001306927131 1072371466 /nfs/dbraw/zinc/37/14/66/1072371466.db2.gz GNVCTNFYNOYGSN-UHFFFAOYSA-N 1 2 418.545 -1.197 20 0 HAADLO 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C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001313168260 1072382368 /nfs/dbraw/zinc/38/23/68/1072382368.db2.gz SEPUWJZJTVNWDI-RBUKOAKNSA-N 1 2 412.487 -1.471 20 0 HAADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001313168260 1072382363 /nfs/dbraw/zinc/38/23/63/1072382363.db2.gz SEPUWJZJTVNWDI-RBUKOAKNSA-N 1 2 412.487 -1.471 20 0 HAADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001313168262 1072382184 /nfs/dbraw/zinc/38/21/84/1072382184.db2.gz SEPUWJZJTVNWDI-RTBURBONSA-N 1 2 412.487 -1.471 20 0 HAADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001313168262 1072382181 /nfs/dbraw/zinc/38/21/81/1072382181.db2.gz SEPUWJZJTVNWDI-RTBURBONSA-N 1 2 412.487 -1.471 20 0 HAADLO CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001313329855 1072382741 /nfs/dbraw/zinc/38/27/41/1072382741.db2.gz WCPMRXRVVZZOTE-HNNXBMFYSA-N 1 2 416.548 -1.183 20 0 HAADLO 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1072394182 /nfs/dbraw/zinc/39/41/82/1072394182.db2.gz KCMPSIDHXWGIEF-HUUCEWRRSA-N 1 2 414.528 -1.308 20 0 HAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001318077382 1072394163 /nfs/dbraw/zinc/39/41/63/1072394163.db2.gz KCMPSIDHXWGIEF-HUUCEWRRSA-N 1 2 414.528 -1.308 20 0 HAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001318077384 1072394220 /nfs/dbraw/zinc/39/42/20/1072394220.db2.gz KCMPSIDHXWGIEF-LSDHHAIUSA-N 1 2 414.528 -1.308 20 0 HAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001318077384 1072394211 /nfs/dbraw/zinc/39/42/11/1072394211.db2.gz KCMPSIDHXWGIEF-LSDHHAIUSA-N 1 2 414.528 -1.308 20 0 HAADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC001318243363 1072395815 /nfs/dbraw/zinc/39/58/15/1072395815.db2.gz YEEGEFPMBVGWCK-UHFFFAOYSA-N 1 2 405.459 -1.035 20 0 HAADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC001318243363 1072395808 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O=C(Cn1nc2n(c1=O)CCCCC2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001318705322 1072401264 /nfs/dbraw/zinc/40/12/64/1072401264.db2.gz KDKFGNMQJFIDAD-HNNXBMFYSA-N 1 2 406.487 -1.180 20 0 HAADLO O=C(Cn1nc2n(c1=O)CCCCC2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001318705330 1072401243 /nfs/dbraw/zinc/40/12/43/1072401243.db2.gz KDKFGNMQJFIDAD-OAHLLOKOSA-N 1 2 406.487 -1.180 20 0 HAADLO COCC(=O)NCCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001318802879 1072402537 /nfs/dbraw/zinc/40/25/37/1072402537.db2.gz GGFCTGKPHOKOMG-UHFFFAOYSA-N 1 2 419.442 -1.292 20 0 HAADLO C[C@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[NH+]1CCN(C)CC1 ZINC001318833176 1072402401 /nfs/dbraw/zinc/40/24/01/1072402401.db2.gz NBERIDKCGGCODP-GFCCVEGCSA-N 1 2 411.484 -1.006 20 0 HAADLO C[C@@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[NH+]1CCN(C)CC1 ZINC001318833177 1072402961 /nfs/dbraw/zinc/40/29/61/1072402961.db2.gz NBERIDKCGGCODP-LBPRGKRZSA-N 1 2 411.484 -1.006 20 0 HAADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001318920702 1072403715 /nfs/dbraw/zinc/40/37/15/1072403715.db2.gz MNDLKQDUGUHJRP-UHFFFAOYSA-N 1 2 401.475 -1.010 20 0 HAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC2(CC1)NC(=O)NC2=O ZINC001318964359 1072404844 /nfs/dbraw/zinc/40/48/44/1072404844.db2.gz YXYLRKJFVJDSMF-BIWSTMPVSA-N 1 2 407.471 -1.196 20 0 HAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC2(CC1)NC(=O)NC2=O ZINC001318964370 1072404749 /nfs/dbraw/zinc/40/47/49/1072404749.db2.gz YXYLRKJFVJDSMF-SHYRYGCCSA-N 1 2 407.471 -1.196 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001318971357 1072404696 /nfs/dbraw/zinc/40/46/96/1072404696.db2.gz UHXTWGLVDNZLPV-ILXRZTDVSA-N 1 2 403.501 -1.827 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001318971359 1072404858 /nfs/dbraw/zinc/40/48/58/1072404858.db2.gz UHXTWGLVDNZLPV-KFWWJZLASA-N 1 2 403.501 -1.827 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC001318971361 1072404636 /nfs/dbraw/zinc/40/46/36/1072404636.db2.gz UHXTWGLVDNZLPV-KKUMJFAQSA-N 1 2 403.501 -1.827 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC001318971363 1072404786 /nfs/dbraw/zinc/40/47/86/1072404786.db2.gz UHXTWGLVDNZLPV-ZNMIVQPWSA-N 1 2 403.501 -1.827 20 0 HAADLO CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(N)=O ZINC001318974380 1072404660 /nfs/dbraw/zinc/40/46/60/1072404660.db2.gz KUDLMLMAOKCVRE-ZDUSSCGKSA-N 1 2 404.493 -2.997 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001318983928 1072404865 /nfs/dbraw/zinc/40/48/65/1072404865.db2.gz KMMXEFBCKFEMNQ-AWEZNQCLSA-N 1 2 405.477 -1.572 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001318983930 1072404774 /nfs/dbraw/zinc/40/47/74/1072404774.db2.gz KMMXEFBCKFEMNQ-CQSZACIVSA-N 1 2 405.477 -1.572 20 0 HAADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001318985882 1072404727 /nfs/dbraw/zinc/40/47/27/1072404727.db2.gz IWSWCCKQLODLJF-CYBMUJFWSA-N 1 2 404.489 -1.296 20 0 HAADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC001318985883 1072404676 /nfs/dbraw/zinc/40/46/76/1072404676.db2.gz IWSWCCKQLODLJF-ZDUSSCGKSA-N 1 2 404.489 -1.296 20 0 HAADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001319005831 1072405456 /nfs/dbraw/zinc/40/54/56/1072405456.db2.gz PTUWTCJMFNMIBT-HNNXBMFYSA-N 1 2 424.527 -1.262 20 0 HAADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001319005833 1072405390 /nfs/dbraw/zinc/40/53/90/1072405390.db2.gz PTUWTCJMFNMIBT-OAHLLOKOSA-N 1 2 424.527 -1.262 20 0 HAADLO Cn1cnc(S(=O)(=O)NCC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC001319128746 1072406638 /nfs/dbraw/zinc/40/66/38/1072406638.db2.gz ZTZONHUZSWKTMU-UHFFFAOYSA-N 1 2 407.518 -1.676 20 0 HAADLO NC(=O)Cn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC001319156043 1072406520 /nfs/dbraw/zinc/40/65/20/1072406520.db2.gz FGDZRNDOELVGPC-UHFFFAOYSA-N 1 2 401.431 -1.648 20 0 HAADLO NC(=O)Cn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC001319156043 1072406508 /nfs/dbraw/zinc/40/65/08/1072406508.db2.gz FGDZRNDOELVGPC-UHFFFAOYSA-N 1 2 401.431 -1.648 20 0 HAADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001319190235 1072407054 /nfs/dbraw/zinc/40/70/54/1072407054.db2.gz OLAJCSBEIHYNAT-HNNXBMFYSA-N 1 2 403.487 -1.029 20 0 HAADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001319190235 1072407051 /nfs/dbraw/zinc/40/70/51/1072407051.db2.gz OLAJCSBEIHYNAT-HNNXBMFYSA-N 1 2 403.487 -1.029 20 0 HAADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001319190242 1072407081 /nfs/dbraw/zinc/40/70/81/1072407081.db2.gz OLAJCSBEIHYNAT-OAHLLOKOSA-N 1 2 403.487 -1.029 20 0 HAADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001319190242 1072407071 /nfs/dbraw/zinc/40/70/71/1072407071.db2.gz OLAJCSBEIHYNAT-OAHLLOKOSA-N 1 2 403.487 -1.029 20 0 HAADLO CC(=O)N[C@@H](CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(N)=O ZINC001319283461 1072407906 /nfs/dbraw/zinc/40/79/06/1072407906.db2.gz GJKZNYXHQLNFMO-AWEZNQCLSA-N 1 2 405.459 -1.658 20 0 HAADLO CC(=O)N[C@@H](CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C(N)=O ZINC001319283461 1072407901 /nfs/dbraw/zinc/40/79/01/1072407901.db2.gz GJKZNYXHQLNFMO-AWEZNQCLSA-N 1 2 405.459 -1.658 20 0 HAADLO O=C(NCCCO)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001319357035 1072408432 /nfs/dbraw/zinc/40/84/32/1072408432.db2.gz YCWLOZZMNPGZHP-KRWDZBQOSA-N 1 2 410.515 -1.096 20 0 HAADLO O=C(NCCCO)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001319357038 1072408485 /nfs/dbraw/zinc/40/84/85/1072408485.db2.gz YCWLOZZMNPGZHP-QGZVFWFLSA-N 1 2 410.515 -1.096 20 0 HAADLO CN(C)C(=O)CN1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001319374170 1072408330 /nfs/dbraw/zinc/40/83/30/1072408330.db2.gz PFPAYEQTFQWGOB-UHFFFAOYSA-N 1 2 403.549 -1.089 20 0 HAADLO CNC(=O)Cc1noc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001319400657 1072409620 /nfs/dbraw/zinc/40/96/20/1072409620.db2.gz LTOJYZVMWDIAPS-UHFFFAOYSA-N 1 2 401.493 -2.032 20 0 HAADLO CC(C)(CNC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC001319450268 1072410061 /nfs/dbraw/zinc/41/00/61/1072410061.db2.gz DPXFQCYRUBYGPY-CVEARBPZSA-N 1 2 418.560 -2.011 20 0 HAADLO CC(C)(CNC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)[NH+]1CCOCC1 ZINC001319450286 1072410005 /nfs/dbraw/zinc/41/00/05/1072410005.db2.gz DPXFQCYRUBYGPY-HOTGVXAUSA-N 1 2 418.560 -2.011 20 0 HAADLO CC(C)(CNC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)[NH+]1CCOCC1 ZINC001319450287 1072410028 /nfs/dbraw/zinc/41/00/28/1072410028.db2.gz DPXFQCYRUBYGPY-HZPDHXFCSA-N 1 2 418.560 -2.011 20 0 HAADLO CC(C)(CNC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)[NH+]1CCOCC1 ZINC001319450288 1072410092 /nfs/dbraw/zinc/41/00/92/1072410092.db2.gz DPXFQCYRUBYGPY-JKSUJKDBSA-N 1 2 418.560 -2.011 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)CC1 ZINC001319491529 1072410727 /nfs/dbraw/zinc/41/07/27/1072410727.db2.gz USJWYLVDHIRTLD-GOSISDBHSA-N 1 2 414.426 -1.277 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@]3(CCOC3)C2=O)CC1 ZINC001319491536 1072410766 /nfs/dbraw/zinc/41/07/66/1072410766.db2.gz USJWYLVDHIRTLD-SFHVURJKSA-N 1 2 414.426 -1.277 20 0 HAADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001319551333 1072411228 /nfs/dbraw/zinc/41/12/28/1072411228.db2.gz DVODLHCFICFDHL-GFCCVEGCSA-N 1 2 421.545 -1.288 20 0 HAADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001319551334 1072411275 /nfs/dbraw/zinc/41/12/75/1072411275.db2.gz DVODLHCFICFDHL-LBPRGKRZSA-N 1 2 421.545 -1.288 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(CC(N)=O)CC2)CC1 ZINC001319604042 1072412464 /nfs/dbraw/zinc/41/24/64/1072412464.db2.gz OMAZNXMIYSFALS-UHFFFAOYSA-N 1 2 401.475 -1.885 20 0 HAADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)N1CCC2(CC1)OCCO2 ZINC001319848650 1072415173 /nfs/dbraw/zinc/41/51/73/1072415173.db2.gz JRXPHPOPXCFQGE-UHFFFAOYSA-N 1 2 424.454 -1.135 20 0 HAADLO COC(=O)Cn1cc(CCN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)nn1 ZINC001319850543 1072415818 /nfs/dbraw/zinc/41/58/18/1072415818.db2.gz XQANXLHQLDEMBB-UHFFFAOYSA-N 1 2 408.415 -1.493 20 0 HAADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001319971619 1072416458 /nfs/dbraw/zinc/41/64/58/1072416458.db2.gz ZFLUJEDPFZSKMT-GFCCVEGCSA-N 1 2 416.456 -2.197 20 0 HAADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)N[C@H]1CCS(=O)(=O)C1 ZINC001319971620 1072416525 /nfs/dbraw/zinc/41/65/25/1072416525.db2.gz ZFLUJEDPFZSKMT-LBPRGKRZSA-N 1 2 416.456 -2.197 20 0 HAADLO Cn1c[nH+]cc1[C@H]1CC(=O)N(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001320308650 1072418905 /nfs/dbraw/zinc/41/89/05/1072418905.db2.gz OPLQFZFISKRSNS-AWEZNQCLSA-N 1 2 402.455 -1.013 20 0 HAADLO Cn1c[nH+]cc1[C@@H]1CC(=O)N(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC001320308651 1072419078 /nfs/dbraw/zinc/41/90/78/1072419078.db2.gz OPLQFZFISKRSNS-CQSZACIVSA-N 1 2 402.455 -1.013 20 0 HAADLO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC001320358723 1072419055 /nfs/dbraw/zinc/41/90/55/1072419055.db2.gz QYVPLYBLXLVCDZ-GFCCVEGCSA-N 1 2 401.489 -1.201 20 0 HAADLO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 ZINC001320358724 1072419656 /nfs/dbraw/zinc/41/96/56/1072419656.db2.gz QYVPLYBLXLVCDZ-LBPRGKRZSA-N 1 2 401.489 -1.201 20 0 HAADLO O=C1NC[C@H]2CN(c3cc(N4CCN5C(=O)C(=O)NC[C@H]5C4)[nH+]cn3)CCN2C1=O ZINC001320370611 1072419756 /nfs/dbraw/zinc/41/97/56/1072419756.db2.gz QMBXVHDDDJZUBT-RYUDHWBXSA-N 1 2 414.426 -3.229 20 0 HAADLO O=C1NC[C@@H]2CN(c3cc(N4CCN5C(=O)C(=O)NC[C@H]5C4)[nH+]cn3)CCN2C1=O ZINC001320370612 1072419739 /nfs/dbraw/zinc/41/97/39/1072419739.db2.gz QMBXVHDDDJZUBT-TXEJJXNPSA-N 1 2 414.426 -3.229 20 0 HAADLO O=C1NC[C@@H]2CN(c3cc(N4CCN5C(=O)C(=O)NC[C@H]5C4)nc[nH+]3)CCN2C1=O ZINC001320370612 1072419736 /nfs/dbraw/zinc/41/97/36/1072419736.db2.gz QMBXVHDDDJZUBT-TXEJJXNPSA-N 1 2 414.426 -3.229 20 0 HAADLO O=C1NC[C@@H]2CN(c3cc(N4CCN5C(=O)C(=O)NC[C@@H]5C4)[nH+]cn3)CCN2C1=O ZINC001320370613 1072419681 /nfs/dbraw/zinc/41/96/81/1072419681.db2.gz QMBXVHDDDJZUBT-VXGBXAGGSA-N 1 2 414.426 -3.229 20 0 HAADLO Cn1cc([C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)CCN2CCN2C(=O)CNC2=O)cn1 ZINC001320904298 1072424704 /nfs/dbraw/zinc/42/47/04/1072424704.db2.gz HQQJYYAYYMBHCV-AWEZNQCLSA-N 1 2 418.458 -1.818 20 0 HAADLO Cn1cc([C@@H]2C[N@H+](CCN3C(=O)CNC3=O)CCN2CCN2C(=O)CNC2=O)cn1 ZINC001320904298 1072424700 /nfs/dbraw/zinc/42/47/00/1072424700.db2.gz HQQJYYAYYMBHCV-AWEZNQCLSA-N 1 2 418.458 -1.818 20 0 HAADLO Cn1cc([C@H]2C[N@@H+](CCN3C(=O)CNC3=O)CCN2CCN2C(=O)CNC2=O)cn1 ZINC001320904299 1072424715 /nfs/dbraw/zinc/42/47/15/1072424715.db2.gz HQQJYYAYYMBHCV-CQSZACIVSA-N 1 2 418.458 -1.818 20 0 HAADLO Cn1cc([C@H]2C[N@H+](CCN3C(=O)CNC3=O)CCN2CCN2C(=O)CNC2=O)cn1 ZINC001320904299 1072424711 /nfs/dbraw/zinc/42/47/11/1072424711.db2.gz HQQJYYAYYMBHCV-CQSZACIVSA-N 1 2 418.458 -1.818 20 0 HAADLO NC(=O)C1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001320919096 1072424662 /nfs/dbraw/zinc/42/46/62/1072424662.db2.gz XCOKEPIOOPAIOD-HNNXBMFYSA-N 1 2 410.471 -1.566 20 0 HAADLO NC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001320919097 1072424758 /nfs/dbraw/zinc/42/47/58/1072424758.db2.gz XCOKEPIOOPAIOD-OAHLLOKOSA-N 1 2 410.471 -1.566 20 0 HAADLO CC(=O)N1CCC(NC(=O)COC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001320919115 1072424741 /nfs/dbraw/zinc/42/47/41/1072424741.db2.gz XOMXRPBMJSOTFN-INIZCTEOSA-N 1 2 424.498 -1.163 20 0 HAADLO CC(=O)N1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001320919116 1072424636 /nfs/dbraw/zinc/42/46/36/1072424636.db2.gz XOMXRPBMJSOTFN-MRXNPFEDSA-N 1 2 424.498 -1.163 20 0 HAADLO Cc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1-c1nc[nH]n1 ZINC001321140352 1072427272 /nfs/dbraw/zinc/42/72/72/1072427272.db2.gz KSHQPUBKDBMULE-UHFFFAOYSA-N 1 2 424.491 -2.056 20 0 HAADLO COC(=O)C1(NCC(=O)NCC(C)(C)[NH+]2CCOCC2)CCS(=O)(=O)CC1 ZINC001321370419 1072429055 /nfs/dbraw/zinc/42/90/55/1072429055.db2.gz FODMJDFVJOPSCF-UHFFFAOYSA-N 1 2 405.517 -1.077 20 0 HAADLO C[C@@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001322175558 1072434555 /nfs/dbraw/zinc/43/45/55/1072434555.db2.gz UZGFEBIQSGVBKP-GDBMZVCRSA-N 1 2 424.498 -1.177 20 0 HAADLO C[C@H](OC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001322175560 1072434637 /nfs/dbraw/zinc/43/46/37/1072434637.db2.gz UZGFEBIQSGVBKP-GOEBONIOSA-N 1 2 424.498 -1.177 20 0 HAADLO C[C@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001322175561 1072434602 /nfs/dbraw/zinc/43/46/02/1072434602.db2.gz UZGFEBIQSGVBKP-HOCLYGCPSA-N 1 2 424.498 -1.177 20 0 HAADLO C[C@@H](OC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCC(C(N)=O)CC1 ZINC001322175563 1072434688 /nfs/dbraw/zinc/43/46/88/1072434688.db2.gz UZGFEBIQSGVBKP-ZBFHGGJFSA-N 1 2 424.498 -1.177 20 0 HAADLO C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)CN1CC[NH+](C)CC1 ZINC001322233989 1072434672 /nfs/dbraw/zinc/43/46/72/1072434672.db2.gz RZTWTJSSPKYOSI-GFCCVEGCSA-N 1 2 401.489 -1.344 20 0 HAADLO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)CN1CC[NH+](C)CC1 ZINC001322233990 1072434590 /nfs/dbraw/zinc/43/45/90/1072434590.db2.gz RZTWTJSSPKYOSI-LBPRGKRZSA-N 1 2 401.489 -1.344 20 0 HAADLO Cc1nnc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1C ZINC001322577162 1072438182 /nfs/dbraw/zinc/43/81/82/1072438182.db2.gz GAKJQNTTYZCXQX-UHFFFAOYSA-N 1 2 400.509 -1.557 20 0 HAADLO C[C@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001322770574 1072438627 /nfs/dbraw/zinc/43/86/27/1072438627.db2.gz DXPAPEUXTGCTGS-CABCVRRESA-N 1 2 422.573 -1.717 20 0 HAADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001322770575 1072438899 /nfs/dbraw/zinc/43/88/99/1072438899.db2.gz DXPAPEUXTGCTGS-GJZGRUSLSA-N 1 2 422.573 -1.717 20 0 HAADLO C[C@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001322770577 1072439415 /nfs/dbraw/zinc/43/94/15/1072439415.db2.gz DXPAPEUXTGCTGS-HUUCEWRRSA-N 1 2 422.573 -1.717 20 0 HAADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001322770579 1072439431 /nfs/dbraw/zinc/43/94/31/1072439431.db2.gz DXPAPEUXTGCTGS-LSDHHAIUSA-N 1 2 422.573 -1.717 20 0 HAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001322771104 1072439446 /nfs/dbraw/zinc/43/94/46/1072439446.db2.gz JJQGDYJAWAOMFC-CYBMUJFWSA-N 1 2 403.443 -1.050 20 0 HAADLO O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001322771104 1072439444 /nfs/dbraw/zinc/43/94/44/1072439444.db2.gz JJQGDYJAWAOMFC-CYBMUJFWSA-N 1 2 403.443 -1.050 20 0 HAADLO O=C(CN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001322771105 1072439376 /nfs/dbraw/zinc/43/93/76/1072439376.db2.gz JJQGDYJAWAOMFC-ZDUSSCGKSA-N 1 2 403.443 -1.050 20 0 HAADLO O=C(CN1C(=O)CNC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001322771105 1072439366 /nfs/dbraw/zinc/43/93/66/1072439366.db2.gz JJQGDYJAWAOMFC-ZDUSSCGKSA-N 1 2 403.443 -1.050 20 0 HAADLO O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](CCn2cncn2)CC1 ZINC001323105702 1072441254 /nfs/dbraw/zinc/44/12/54/1072441254.db2.gz OFKDCZVHKBKFEQ-AWEZNQCLSA-N 1 2 423.499 -1.412 20 0 HAADLO O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CC[NH+](CCn2cncn2)CC1 ZINC001323105712 1072441304 /nfs/dbraw/zinc/44/13/04/1072441304.db2.gz OFKDCZVHKBKFEQ-CQSZACIVSA-N 1 2 423.499 -1.412 20 0 HAADLO O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001323336641 1072443049 /nfs/dbraw/zinc/44/30/49/1072443049.db2.gz ZHIFXVJRFLKXOR-BIENJYKASA-N 1 2 407.471 -1.338 20 0 HAADLO O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001323336642 1072443203 /nfs/dbraw/zinc/44/32/03/1072443203.db2.gz ZHIFXVJRFLKXOR-CKFHNAJUSA-N 1 2 407.471 -1.338 20 0 HAADLO O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001323336643 1072443033 /nfs/dbraw/zinc/44/30/33/1072443033.db2.gz ZHIFXVJRFLKXOR-IQUTYRLHSA-N 1 2 407.471 -1.338 20 0 HAADLO O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001323336644 1072443009 /nfs/dbraw/zinc/44/30/09/1072443009.db2.gz ZHIFXVJRFLKXOR-PJIJBLCYSA-N 1 2 407.471 -1.338 20 0 HAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001323396765 1072442905 /nfs/dbraw/zinc/44/29/05/1072442905.db2.gz MVOTUZIUPRTCKF-OLZOCXBDSA-N 1 2 403.443 -1.004 20 0 HAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001323396765 1072442899 /nfs/dbraw/zinc/44/28/99/1072442899.db2.gz MVOTUZIUPRTCKF-OLZOCXBDSA-N 1 2 403.443 -1.004 20 0 HAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001323396769 1072442965 /nfs/dbraw/zinc/44/29/65/1072442965.db2.gz MVOTUZIUPRTCKF-STQMWFEESA-N 1 2 403.443 -1.004 20 0 HAADLO O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001323396769 1072442956 /nfs/dbraw/zinc/44/29/56/1072442956.db2.gz MVOTUZIUPRTCKF-STQMWFEESA-N 1 2 403.443 -1.004 20 0 HAADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1 ZINC001323958700 1072445452 /nfs/dbraw/zinc/44/54/52/1072445452.db2.gz KHJHMWCOGITLAM-UHFFFAOYSA-N 1 2 411.488 -1.011 20 0 HAADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001323999671 1072446263 /nfs/dbraw/zinc/44/62/63/1072446263.db2.gz NRQISDPBPKPQQB-CABCVRRESA-N 1 2 403.549 -1.043 20 0 HAADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001323999692 1072446239 /nfs/dbraw/zinc/44/62/39/1072446239.db2.gz NRQISDPBPKPQQB-GJZGRUSLSA-N 1 2 403.549 -1.043 20 0 HAADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC001323999695 1072446251 /nfs/dbraw/zinc/44/62/51/1072446251.db2.gz NRQISDPBPKPQQB-HUUCEWRRSA-N 1 2 403.549 -1.043 20 0 HAADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001323999698 1072446332 /nfs/dbraw/zinc/44/63/32/1072446332.db2.gz NRQISDPBPKPQQB-LSDHHAIUSA-N 1 2 403.549 -1.043 20 0 HAADLO COCCNC(=O)CN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC001324129339 1072446969 /nfs/dbraw/zinc/44/69/69/1072446969.db2.gz UDCHJZNSEQNNKE-UHFFFAOYSA-N 1 2 407.475 -2.186 20 0 HAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N(CCO)CCN2CCOCC2)CC1 ZINC001324605640 1072452049 /nfs/dbraw/zinc/45/20/49/1072452049.db2.gz UABMNDKZFZSHRP-UHFFFAOYSA-N 1 2 406.549 -1.169 20 0 HAADLO CCOC1CC(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)([NH+]2CCOCC2)C1 ZINC001325106508 1072454285 /nfs/dbraw/zinc/45/42/85/1072454285.db2.gz AHLIPKDHRLFCIR-UHFFFAOYSA-N 1 2 401.489 -1.083 20 0 HAADLO Cc1nc(Cn2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)nn2)no1 ZINC001326658019 1072458568 /nfs/dbraw/zinc/45/85/68/1072458568.db2.gz XLHKWOUINKAJHY-CYBMUJFWSA-N 1 2 404.431 -1.319 20 0 HAADLO Cc1nc(Cn2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)nn2)no1 ZINC001326658020 1072458654 /nfs/dbraw/zinc/45/86/54/1072458654.db2.gz XLHKWOUINKAJHY-ZDUSSCGKSA-N 1 2 404.431 -1.319 20 0 HAADLO Cc1nc(Cn2nnc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2C)no1 ZINC001326658253 1072458699 /nfs/dbraw/zinc/45/86/99/1072458699.db2.gz YMXAGSJDRXVHSC-AWEZNQCLSA-N 1 2 418.458 -1.011 20 0 HAADLO Cc1nc(Cn2nnc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2C)no1 ZINC001326658254 1072458685 /nfs/dbraw/zinc/45/86/85/1072458685.db2.gz YMXAGSJDRXVHSC-CQSZACIVSA-N 1 2 418.458 -1.011 20 0 HAADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001326958307 1072459215 /nfs/dbraw/zinc/45/92/15/1072459215.db2.gz WSKHZXYBUMDVER-AWEZNQCLSA-N 1 2 419.486 -1.406 20 0 HAADLO Nc1nc(=O)[nH]cc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001326958308 1072459303 /nfs/dbraw/zinc/45/93/03/1072459303.db2.gz WSKHZXYBUMDVER-CQSZACIVSA-N 1 2 419.486 -1.406 20 0 HAADLO O=CN1CCCN(CC(=O)N2CCN(C(=O)C[N@H+]3CCCN(C=O)CC3)CC2)CC1 ZINC001328203455 1072462574 /nfs/dbraw/zinc/46/25/74/1072462574.db2.gz GAHMFAWGLVKEHC-UHFFFAOYSA-N 1 2 422.530 -2.015 20 0 HAADLO O=CN1CCCN(CC(=O)N2CCN(C(=O)C[N@@H+]3CCCN(C=O)CC3)CC2)CC1 ZINC001328203455 1072462570 /nfs/dbraw/zinc/46/25/70/1072462570.db2.gz GAHMFAWGLVKEHC-UHFFFAOYSA-N 1 2 422.530 -2.015 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001328266221 1072462528 /nfs/dbraw/zinc/46/25/28/1072462528.db2.gz POHOOKUJCMZMJG-GFCCVEGCSA-N 1 2 422.467 -1.010 20 0 HAADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001328266222 1072462305 /nfs/dbraw/zinc/46/23/05/1072462305.db2.gz POHOOKUJCMZMJG-LBPRGKRZSA-N 1 2 422.467 -1.010 20 0 HAADLO C[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001328831246 1072463122 /nfs/dbraw/zinc/46/31/22/1072463122.db2.gz WOVCMEFUHQGQQD-CVEARBPZSA-N 1 2 415.560 -1.930 20 0 HAADLO C[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001328831255 1072463139 /nfs/dbraw/zinc/46/31/39/1072463139.db2.gz WOVCMEFUHQGQQD-HOTGVXAUSA-N 1 2 415.560 -1.930 20 0 HAADLO C[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001328831257 1072463170 /nfs/dbraw/zinc/46/31/70/1072463170.db2.gz WOVCMEFUHQGQQD-HZPDHXFCSA-N 1 2 415.560 -1.930 20 0 HAADLO C[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)[NH+]1CCN(C)CC1 ZINC001328831260 1072463041 /nfs/dbraw/zinc/46/30/41/1072463041.db2.gz WOVCMEFUHQGQQD-JKSUJKDBSA-N 1 2 415.560 -1.930 20 0 HAADLO CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001329029469 1072463740 /nfs/dbraw/zinc/46/37/40/1072463740.db2.gz COPFUBQLHGQBHC-HNNXBMFYSA-N 1 2 417.532 -1.788 20 0 HAADLO CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001329029508 1072463756 /nfs/dbraw/zinc/46/37/56/1072463756.db2.gz COPFUBQLHGQBHC-OAHLLOKOSA-N 1 2 417.532 -1.788 20 0 HAADLO CCN1CC[NH+](CCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC001330253213 1072464180 /nfs/dbraw/zinc/46/41/80/1072464180.db2.gz UXFZFABJZOVTRR-UHFFFAOYSA-N 1 2 401.489 -1.199 20 0 HAADLO O=C(CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001330742125 1072465025 /nfs/dbraw/zinc/46/50/25/1072465025.db2.gz WVFZAMRXDZIMGQ-CABCVRRESA-N 1 2 409.512 -1.107 20 0 HAADLO O=C(CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001330742126 1072465211 /nfs/dbraw/zinc/46/52/11/1072465211.db2.gz WVFZAMRXDZIMGQ-GJZGRUSLSA-N 1 2 409.512 -1.107 20 0 HAADLO O=C(CN1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001330742127 1072464958 /nfs/dbraw/zinc/46/49/58/1072464958.db2.gz WVFZAMRXDZIMGQ-HUUCEWRRSA-N 1 2 409.512 -1.107 20 0 HAADLO O=C(CN1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001330742128 1072465090 /nfs/dbraw/zinc/46/50/90/1072465090.db2.gz WVFZAMRXDZIMGQ-LSDHHAIUSA-N 1 2 409.512 -1.107 20 0 HAADLO O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001330997034 1072465154 /nfs/dbraw/zinc/46/51/54/1072465154.db2.gz CUNSBWZYXFUHTJ-CABCVRRESA-N 1 2 410.500 -1.542 20 0 HAADLO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001330997055 1072465141 /nfs/dbraw/zinc/46/51/41/1072465141.db2.gz CUNSBWZYXFUHTJ-GJZGRUSLSA-N 1 2 410.500 -1.542 20 0 HAADLO O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001330997058 1072465128 /nfs/dbraw/zinc/46/51/28/1072465128.db2.gz CUNSBWZYXFUHTJ-HUUCEWRRSA-N 1 2 410.500 -1.542 20 0 HAADLO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[NH+](CCn2cncn2)CC1 ZINC001330997063 1072465061 /nfs/dbraw/zinc/46/50/61/1072465061.db2.gz CUNSBWZYXFUHTJ-LSDHHAIUSA-N 1 2 410.500 -1.542 20 0 HAADLO CNS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC001332370653 1072466327 /nfs/dbraw/zinc/46/63/27/1072466327.db2.gz OCKBZRDLEGZZBX-UHFFFAOYSA-N 1 2 411.532 -1.109 20 0 HAADLO CNc1nc(N2CCO[C@@H](CNC(C)=O)C2)[nH+]c(N2CCO[C@@H](CNC(C)=O)C2)n1 ZINC001332399718 1072466189 /nfs/dbraw/zinc/46/61/89/1072466189.db2.gz JVZHUDXSXPRHCZ-GJZGRUSLSA-N 1 2 422.490 -1.982 20 0 HAADLO CNc1nc(N2CCO[C@H](CNC(C)=O)C2)[nH+]c(N2CCO[C@H](CNC(C)=O)C2)n1 ZINC001332399726 1072466356 /nfs/dbraw/zinc/46/63/56/1072466356.db2.gz JVZHUDXSXPRHCZ-HUUCEWRRSA-N 1 2 422.490 -1.982 20 0 HAADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC001333838852 1072467472 /nfs/dbraw/zinc/46/74/72/1072467472.db2.gz XLASKKWWESIBGN-UHFFFAOYSA-N 1 2 404.514 -1.015 20 0 HAADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)c4ccc(=O)[nH]c4)CC3)c2c(=O)n(C)c1=O ZINC001336597976 1072468919 /nfs/dbraw/zinc/46/89/19/1072468919.db2.gz AQDUMTJKWIKTRQ-UHFFFAOYSA-N 1 2 413.438 -1.008 20 0 HAADLO NS(=O)(=O)c1cnn(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001339801440 1072476116 /nfs/dbraw/zinc/47/61/16/1072476116.db2.gz CMUPFKLUDMPZDW-GFCCVEGCSA-N 1 2 400.461 -2.420 20 0 HAADLO NS(=O)(=O)c1cnn(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001339801471 1072476198 /nfs/dbraw/zinc/47/61/98/1072476198.db2.gz CMUPFKLUDMPZDW-LBPRGKRZSA-N 1 2 400.461 -2.420 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2C(=O)CNC2=O)CC3)CC1 ZINC001340087337 1072476987 /nfs/dbraw/zinc/47/69/87/1072476987.db2.gz OKFZGFHFAXQGDA-CYBMUJFWSA-N 1 2 417.470 -1.499 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2C(=O)CNC2=O)CC3)CC1 ZINC001340087353 1072477021 /nfs/dbraw/zinc/47/70/21/1072477021.db2.gz OKFZGFHFAXQGDA-ZDUSSCGKSA-N 1 2 417.470 -1.499 20 0 HAADLO CNC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001340423901 1072477370 /nfs/dbraw/zinc/47/73/70/1072477370.db2.gz DOLSQECOAYSGEF-UHFFFAOYSA-N 1 2 410.500 -1.309 20 0 HAADLO NC(=O)C1CCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001343988909 1072483307 /nfs/dbraw/zinc/48/33/07/1072483307.db2.gz CREBBEJTAMSROT-INIZCTEOSA-N 1 2 424.498 -1.033 20 0 HAADLO NC(=O)C1CCN(C(=O)COC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001343988910 1072483362 /nfs/dbraw/zinc/48/33/62/1072483362.db2.gz CREBBEJTAMSROT-MRXNPFEDSA-N 1 2 424.498 -1.033 20 0 HAADLO Cn1cnn(CC(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1=O ZINC001344742770 1072483884 /nfs/dbraw/zinc/48/38/84/1072483884.db2.gz FBFPLFFDTYHFDO-AWEZNQCLSA-N 1 2 416.486 -1.455 20 0 HAADLO Cn1cnn(CC(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)c1=O ZINC001344742771 1072483991 /nfs/dbraw/zinc/48/39/91/1072483991.db2.gz FBFPLFFDTYHFDO-CQSZACIVSA-N 1 2 416.486 -1.455 20 0 HAADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CSCC(=O)N1 ZINC001353770133 1072489570 /nfs/dbraw/zinc/48/95/70/1072489570.db2.gz RBIIQRAJVGMDFQ-ZDUSSCGKSA-N 1 2 413.525 -1.119 20 0 HAADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001359400156 1072492622 /nfs/dbraw/zinc/49/26/22/1072492622.db2.gz CGPTUYAWGQICQL-HNNXBMFYSA-N 1 2 404.475 -2.102 20 0 HAADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001359400157 1072492552 /nfs/dbraw/zinc/49/25/52/1072492552.db2.gz CGPTUYAWGQICQL-OAHLLOKOSA-N 1 2 404.475 -2.102 20 0 HAADLO CCCCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001441235168 1072498057 /nfs/dbraw/zinc/49/80/57/1072498057.db2.gz FPINFKOKMBBMFM-UHFFFAOYSA-N 1 2 410.562 -1.162 20 0 HAADLO COC(=O)c1ccn(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001441237687 1072497997 /nfs/dbraw/zinc/49/79/97/1072497997.db2.gz NNZVNFAFTWDESN-UHFFFAOYSA-N 1 2 414.488 -1.694 20 0 HAADLO O=C(CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N[C@@H]1CCS(=O)(=O)C1 ZINC001441410604 1072498639 /nfs/dbraw/zinc/49/86/39/1072498639.db2.gz AHOHPDZSIYTNKP-KFWWJZLASA-N 1 2 403.501 -1.324 20 0 HAADLO O=C(CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)N[C@H]1CCS(=O)(=O)C1 ZINC001441410634 1072498581 /nfs/dbraw/zinc/49/85/81/1072498581.db2.gz AHOHPDZSIYTNKP-ZNMIVQPWSA-N 1 2 403.501 -1.324 20 0 HAADLO CN1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001441503399 1072498474 /nfs/dbraw/zinc/49/84/74/1072498474.db2.gz MPVCKFWDUKKNEN-HNNXBMFYSA-N 1 2 411.484 -1.493 20 0 HAADLO CN1CCO[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC001441503437 1072498494 /nfs/dbraw/zinc/49/84/94/1072498494.db2.gz MPVCKFWDUKKNEN-OAHLLOKOSA-N 1 2 411.484 -1.493 20 0 HAADLO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC001443405257 1072500249 /nfs/dbraw/zinc/50/02/49/1072500249.db2.gz GTADOZFPUHQTIS-CYBMUJFWSA-N 1 2 400.443 -1.379 20 0 HAADLO CN1CCn2ncc(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)c2S1(=O)=O ZINC001443512007 1072500720 /nfs/dbraw/zinc/50/07/20/1072500720.db2.gz AQFCGWQKYNJKFX-UHFFFAOYSA-N 1 2 419.529 -1.244 20 0 HAADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCOCC2)ncn1 ZINC001444638557 1072501403 /nfs/dbraw/zinc/50/14/03/1072501403.db2.gz LBUUDRNCKQXBGL-HNNXBMFYSA-N 1 2 404.471 -1.024 20 0 HAADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCOCC2)ncn1 ZINC001444638560 1072501528 /nfs/dbraw/zinc/50/15/28/1072501528.db2.gz LBUUDRNCKQXBGL-OAHLLOKOSA-N 1 2 404.471 -1.024 20 0 HAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001446591611 1072502446 /nfs/dbraw/zinc/50/24/46/1072502446.db2.gz GNXWZGWXVHKFJY-AWEZNQCLSA-N 1 2 418.516 -1.283 20 0 HAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446591627 1072502999 /nfs/dbraw/zinc/50/29/99/1072502999.db2.gz GNXWZGWXVHKFJY-CQSZACIVSA-N 1 2 418.516 -1.283 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(S(N)(=O)=O)CC2)CC3)CC1 ZINC001449266768 1072503868 /nfs/dbraw/zinc/50/38/68/1072503868.db2.gz GRECQOUMQQXYQQ-CYBMUJFWSA-N 1 2 424.527 -1.230 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(S(N)(=O)=O)CC2)CC3)CC1 ZINC001449266812 1072503954 /nfs/dbraw/zinc/50/39/54/1072503954.db2.gz GRECQOUMQQXYQQ-ZDUSSCGKSA-N 1 2 424.527 -1.230 20 0 HAADLO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)CC1=O ZINC001450718899 1072504395 /nfs/dbraw/zinc/50/43/95/1072504395.db2.gz AULBOBWESWXDPJ-AWEZNQCLSA-N 1 2 405.517 -1.125 20 0 HAADLO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)CC1=O ZINC001450718899 1072504392 /nfs/dbraw/zinc/50/43/92/1072504392.db2.gz AULBOBWESWXDPJ-AWEZNQCLSA-N 1 2 405.517 -1.125 20 0 HAADLO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)CC1=O ZINC001450718900 1072504571 /nfs/dbraw/zinc/50/45/71/1072504571.db2.gz AULBOBWESWXDPJ-CQSZACIVSA-N 1 2 405.517 -1.125 20 0 HAADLO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)CC1=O ZINC001450718900 1072504564 /nfs/dbraw/zinc/50/45/64/1072504564.db2.gz AULBOBWESWXDPJ-CQSZACIVSA-N 1 2 405.517 -1.125 20 0 HAADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001451422890 1072505643 /nfs/dbraw/zinc/50/56/43/1072505643.db2.gz OHVJOVGUIBFVAL-KRWDZBQOSA-N 1 2 412.531 -1.027 20 0 HAADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001451422894 1072505613 /nfs/dbraw/zinc/50/56/13/1072505613.db2.gz OHVJOVGUIBFVAL-QGZVFWFLSA-N 1 2 412.531 -1.027 20 0 HAADLO COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001451811490 1072505539 /nfs/dbraw/zinc/50/55/39/1072505539.db2.gz RGKZCQSPYOWONT-CABCVRRESA-N 1 2 410.471 -1.553 20 0 HAADLO COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001451811838 1072505521 /nfs/dbraw/zinc/50/55/21/1072505521.db2.gz RGKZCQSPYOWONT-GJZGRUSLSA-N 1 2 410.471 -1.553 20 0 HAADLO COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001451811847 1072505632 /nfs/dbraw/zinc/50/56/32/1072505632.db2.gz RGKZCQSPYOWONT-HUUCEWRRSA-N 1 2 410.471 -1.553 20 0 HAADLO COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001451811850 1072505369 /nfs/dbraw/zinc/50/53/69/1072505369.db2.gz RGKZCQSPYOWONT-LSDHHAIUSA-N 1 2 410.471 -1.553 20 0 HAADLO COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001453745363 1072507264 /nfs/dbraw/zinc/50/72/64/1072507264.db2.gz WERUMHKAGMQKFV-XGUBFFRZSA-N 1 2 424.454 -1.440 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cn1C ZINC001454289597 1072507005 /nfs/dbraw/zinc/50/70/05/1072507005.db2.gz QCGHKTPHNXFYFO-AWEZNQCLSA-N 1 2 401.489 -1.434 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cn1C ZINC001454289655 1072507245 /nfs/dbraw/zinc/50/72/45/1072507245.db2.gz QCGHKTPHNXFYFO-CQSZACIVSA-N 1 2 401.489 -1.434 20 0 HAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001454499545 1072508059 /nfs/dbraw/zinc/50/80/59/1072508059.db2.gz IMYZKNGIMKMKJQ-AWEZNQCLSA-N 1 2 400.505 -1.273 20 0 HAADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001454499549 1072507986 /nfs/dbraw/zinc/50/79/86/1072507986.db2.gz IMYZKNGIMKMKJQ-CQSZACIVSA-N 1 2 400.505 -1.273 20 0 HAADLO CS(=O)(=O)NC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001455495179 1072510150 /nfs/dbraw/zinc/51/01/50/1072510150.db2.gz OHEWDKAPQKEBRR-CABCVRRESA-N 1 2 402.517 -1.435 20 0 HAADLO CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001455495182 1072510169 /nfs/dbraw/zinc/51/01/69/1072510169.db2.gz OHEWDKAPQKEBRR-GJZGRUSLSA-N 1 2 402.517 -1.435 20 0 HAADLO CS(=O)(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001455495185 1072510188 /nfs/dbraw/zinc/51/01/88/1072510188.db2.gz OHEWDKAPQKEBRR-HUUCEWRRSA-N 1 2 402.517 -1.435 20 0 HAADLO CS(=O)(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001455495188 1072510232 /nfs/dbraw/zinc/51/02/32/1072510232.db2.gz OHEWDKAPQKEBRR-LSDHHAIUSA-N 1 2 402.517 -1.435 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cn1C ZINC001455700944 1072510786 /nfs/dbraw/zinc/51/07/86/1072510786.db2.gz QTXSUVWCODPCDP-UHFFFAOYSA-N 1 2 400.505 -1.371 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cn1C ZINC001455700944 1072510777 /nfs/dbraw/zinc/51/07/77/1072510777.db2.gz QTXSUVWCODPCDP-UHFFFAOYSA-N 1 2 400.505 -1.371 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC001456034568 1072510526 /nfs/dbraw/zinc/51/05/26/1072510526.db2.gz CPXCOWCNUHIYCT-UHFFFAOYSA-N 1 2 405.521 -1.899 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 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ZINC001470225994 1072529671 /nfs/dbraw/zinc/52/96/71/1072529671.db2.gz OKCNBJFJIGDQMC-KRWDZBQOSA-N 1 2 415.516 -1.261 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cn1C ZINC001470225994 1072529663 /nfs/dbraw/zinc/52/96/63/1072529663.db2.gz OKCNBJFJIGDQMC-KRWDZBQOSA-N 1 2 415.516 -1.261 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cn1C ZINC001470225995 1072530141 /nfs/dbraw/zinc/53/01/41/1072530141.db2.gz OKCNBJFJIGDQMC-QGZVFWFLSA-N 1 2 415.516 -1.261 20 0 HAADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cn1C ZINC001470225995 1072530129 /nfs/dbraw/zinc/53/01/29/1072530129.db2.gz OKCNBJFJIGDQMC-QGZVFWFLSA-N 1 2 415.516 -1.261 20 0 HAADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cn1C ZINC001470686528 1072530816 /nfs/dbraw/zinc/53/08/16/1072530816.db2.gz RQJBOSDRGCAYPM-HNNXBMFYSA-N 1 2 415.516 -1.043 20 0 HAADLO Cc1nc(S(=O)(=O)NCCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cn1C ZINC001470686529 1072530648 /nfs/dbraw/zinc/53/06/48/1072530648.db2.gz RQJBOSDRGCAYPM-OAHLLOKOSA-N 1 2 415.516 -1.043 20 0 HAADLO O=C(NC[C@]1(O)CCS(=O)(=O)C1)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001471181746 1072532899 /nfs/dbraw/zinc/53/28/99/1072532899.db2.gz JFTDPWKXMCNQSW-DOTOQJQBSA-N 1 2 404.533 -1.368 20 0 HAADLO O=C(NC[C@]1(O)CCS(=O)(=O)C1)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001471181747 1072532808 /nfs/dbraw/zinc/53/28/08/1072532808.db2.gz JFTDPWKXMCNQSW-NVXWUHKLSA-N 1 2 404.533 -1.368 20 0 HAADLO O=C(NC[C@@]1(O)CCS(=O)(=O)C1)N[C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001471181748 1072533035 /nfs/dbraw/zinc/53/30/35/1072533035.db2.gz JFTDPWKXMCNQSW-RDJZCZTQSA-N 1 2 404.533 -1.368 20 0 HAADLO O=C(NC[C@@]1(O)CCS(=O)(=O)C1)N[C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC001471181749 1072532692 /nfs/dbraw/zinc/53/26/92/1072532692.db2.gz JFTDPWKXMCNQSW-WBVHZDCISA-N 1 2 404.533 -1.368 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001471304758 1072533488 /nfs/dbraw/zinc/53/34/88/1072533488.db2.gz UUABXAHRVLIAHC-KRWDZBQOSA-N 1 2 421.498 -1.247 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001471304760 1072533575 /nfs/dbraw/zinc/53/35/75/1072533575.db2.gz UUABXAHRVLIAHC-QGZVFWFLSA-N 1 2 421.498 -1.247 20 0 HAADLO COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001471326015 1072533456 /nfs/dbraw/zinc/53/34/56/1072533456.db2.gz AIQJESWTRWYMCI-ZIAGYGMSSA-N 1 2 403.505 -1.385 20 0 HAADLO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471630603 1072534609 /nfs/dbraw/zinc/53/46/09/1072534609.db2.gz FAUBFKYMHXWQRW-CYBMUJFWSA-N 1 2 403.443 -1.443 20 0 HAADLO CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471630611 1072535084 /nfs/dbraw/zinc/53/50/84/1072535084.db2.gz FAUBFKYMHXWQRW-ZDUSSCGKSA-N 1 2 403.443 -1.443 20 0 HAADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC001471646695 1072535146 /nfs/dbraw/zinc/53/51/46/1072535146.db2.gz PVALOZSUPRXLRX-AWEZNQCLSA-N 1 2 424.483 -1.144 20 0 HAADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC001471646695 1072535139 /nfs/dbraw/zinc/53/51/39/1072535139.db2.gz PVALOZSUPRXLRX-AWEZNQCLSA-N 1 2 424.483 -1.144 20 0 HAADLO CN(Cc1nnc2n1CCNC2=O)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471857220 1072535603 /nfs/dbraw/zinc/53/56/03/1072535603.db2.gz LQCCSNVFBFHVST-CYBMUJFWSA-N 1 2 405.459 -1.839 20 0 HAADLO CN(Cc1nnc2n1CCNC2=O)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001471857223 1072535613 /nfs/dbraw/zinc/53/56/13/1072535613.db2.gz LQCCSNVFBFHVST-ZDUSSCGKSA-N 1 2 405.459 -1.839 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978116 1072536117 /nfs/dbraw/zinc/53/61/17/1072536117.db2.gz BRGJPCMLSXCCNE-KBPBESRZSA-N 1 2 400.501 -1.698 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978116 1072536104 /nfs/dbraw/zinc/53/61/04/1072536104.db2.gz BRGJPCMLSXCCNE-KBPBESRZSA-N 1 2 400.501 -1.698 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978117 1072536072 /nfs/dbraw/zinc/53/60/72/1072536072.db2.gz BRGJPCMLSXCCNE-KGLIPLIRSA-N 1 2 400.501 -1.698 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978117 1072536061 /nfs/dbraw/zinc/53/60/61/1072536061.db2.gz BRGJPCMLSXCCNE-KGLIPLIRSA-N 1 2 400.501 -1.698 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978118 1072535993 /nfs/dbraw/zinc/53/59/93/1072535993.db2.gz BRGJPCMLSXCCNE-UONOGXRCSA-N 1 2 400.501 -1.698 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978118 1072535983 /nfs/dbraw/zinc/53/59/83/1072535983.db2.gz BRGJPCMLSXCCNE-UONOGXRCSA-N 1 2 400.501 -1.698 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978119 1072536036 /nfs/dbraw/zinc/53/60/36/1072536036.db2.gz BRGJPCMLSXCCNE-ZIAGYGMSSA-N 1 2 400.501 -1.698 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471978119 1072536025 /nfs/dbraw/zinc/53/60/25/1072536025.db2.gz BRGJPCMLSXCCNE-ZIAGYGMSSA-N 1 2 400.501 -1.698 20 0 HAADLO CNS(=O)(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC001473516162 1072539711 /nfs/dbraw/zinc/53/97/11/1072539711.db2.gz HLOFSYHMDWICQR-UHFFFAOYSA-N 1 2 416.504 -1.256 20 0 HAADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001473529723 1072539856 /nfs/dbraw/zinc/53/98/56/1072539856.db2.gz OWZYZEVYTXODRI-APHBMKBZSA-N 1 2 410.496 -1.030 20 0 HAADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001473529723 1072539848 /nfs/dbraw/zinc/53/98/48/1072539848.db2.gz OWZYZEVYTXODRI-APHBMKBZSA-N 1 2 410.496 -1.030 20 0 HAADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001473529724 1072539839 /nfs/dbraw/zinc/53/98/39/1072539839.db2.gz OWZYZEVYTXODRI-DAXOMENPSA-N 1 2 410.496 -1.030 20 0 HAADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001473529724 1072539831 /nfs/dbraw/zinc/53/98/31/1072539831.db2.gz OWZYZEVYTXODRI-DAXOMENPSA-N 1 2 410.496 -1.030 20 0 HAADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC001473703953 1072539599 /nfs/dbraw/zinc/53/95/99/1072539599.db2.gz FHXSOTQIRASDQF-UHFFFAOYSA-N 1 2 405.521 -1.946 20 0 HAADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC001473703953 1072539588 /nfs/dbraw/zinc/53/95/88/1072539588.db2.gz FHXSOTQIRASDQF-UHFFFAOYSA-N 1 2 405.521 -1.946 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC001473811860 1072540173 /nfs/dbraw/zinc/54/01/73/1072540173.db2.gz DMFLYGUENOLCBK-UHFFFAOYSA-N 1 2 409.512 -1.023 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC001473811860 1072540160 /nfs/dbraw/zinc/54/01/60/1072540160.db2.gz DMFLYGUENOLCBK-UHFFFAOYSA-N 1 2 409.512 -1.023 20 0 HAADLO CC(C)N(CCCNC(=O)C[N@H+]1CCN2CCOC[C@@]2(CO)C1)S(C)(=O)=O ZINC001473832238 1072540558 /nfs/dbraw/zinc/54/05/58/1072540558.db2.gz IDCLISZVFNZJOC-KRWDZBQOSA-N 1 2 406.549 -1.458 20 0 HAADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCN2CCOC[C@@]2(CO)C1)S(C)(=O)=O ZINC001473832238 1072540551 /nfs/dbraw/zinc/54/05/51/1072540551.db2.gz IDCLISZVFNZJOC-KRWDZBQOSA-N 1 2 406.549 -1.458 20 0 HAADLO CC(C)N(CCCNC(=O)C[N@H+]1CCN2CCOC[C@]2(CO)C1)S(C)(=O)=O ZINC001473832242 1072540309 /nfs/dbraw/zinc/54/03/09/1072540309.db2.gz IDCLISZVFNZJOC-QGZVFWFLSA-N 1 2 406.549 -1.458 20 0 HAADLO CC(C)N(CCCNC(=O)C[N@@H+]1CCN2CCOC[C@]2(CO)C1)S(C)(=O)=O ZINC001473832242 1072540292 /nfs/dbraw/zinc/54/02/92/1072540292.db2.gz IDCLISZVFNZJOC-QGZVFWFLSA-N 1 2 406.549 -1.458 20 0 HAADLO Cc1conc1CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001474824261 1072540470 /nfs/dbraw/zinc/54/04/70/1072540470.db2.gz CSHGNIUEHNEIMJ-UHFFFAOYSA-N 1 2 407.518 -1.077 20 0 HAADLO O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001474902680 1072540942 /nfs/dbraw/zinc/54/09/42/1072540942.db2.gz FCFIPYBTQIIYRU-JYJNAYRXSA-N 1 2 407.558 -1.111 20 0 HAADLO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001474902680 1072540929 /nfs/dbraw/zinc/54/09/29/1072540929.db2.gz FCFIPYBTQIIYRU-JYJNAYRXSA-N 1 2 407.558 -1.111 20 0 HAADLO CS(=O)(=O)N1CC(CS(=O)(=O)NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC001475372726 1072542887 /nfs/dbraw/zinc/54/28/87/1072542887.db2.gz SHTMTOFZMZEASJ-UHFFFAOYSA-N 1 2 411.546 -1.321 20 0 HAADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001475434680 1072543597 /nfs/dbraw/zinc/54/35/97/1072543597.db2.gz CUHRTFRIYRLLSB-AWEZNQCLSA-N 1 2 410.562 -1.118 20 0 HAADLO CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001475434681 1072543493 /nfs/dbraw/zinc/54/34/93/1072543493.db2.gz CUHRTFRIYRLLSB-CQSZACIVSA-N 1 2 410.562 -1.118 20 0 HAADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC001475444944 1072543434 /nfs/dbraw/zinc/54/34/34/1072543434.db2.gz BGRJSFPHKXBUOZ-UHFFFAOYSA-N 1 2 415.516 -1.305 20 0 HAADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001477798407 1072546246 /nfs/dbraw/zinc/54/62/46/1072546246.db2.gz GJTQEHCYPHGBPE-INIZCTEOSA-N 1 2 406.549 -1.170 20 0 HAADLO CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001477798407 1072546233 /nfs/dbraw/zinc/54/62/33/1072546233.db2.gz GJTQEHCYPHGBPE-INIZCTEOSA-N 1 2 406.549 -1.170 20 0 HAADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC001477798408 1072546131 /nfs/dbraw/zinc/54/61/31/1072546131.db2.gz GJTQEHCYPHGBPE-MRXNPFEDSA-N 1 2 406.549 -1.170 20 0 HAADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001477798408 1072546127 /nfs/dbraw/zinc/54/61/27/1072546127.db2.gz GJTQEHCYPHGBPE-MRXNPFEDSA-N 1 2 406.549 -1.170 20 0 HAADLO CNC(=O)NC[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC001477798651 1072546155 /nfs/dbraw/zinc/54/61/55/1072546155.db2.gz HGEJNOKKILEGDH-AWEZNQCLSA-N 1 2 405.521 -1.165 20 0 HAADLO CNC(=O)NC[C@@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCO1 ZINC001477798653 1072546117 /nfs/dbraw/zinc/54/61/17/1072546117.db2.gz HGEJNOKKILEGDH-CQSZACIVSA-N 1 2 405.521 -1.165 20 0 HAADLO CO[C@]1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCS(=O)(=O)C1 ZINC001477800709 1072546629 /nfs/dbraw/zinc/54/66/29/1072546629.db2.gz ZNAWTKPCWBHXDK-HNNXBMFYSA-N 1 2 411.546 -1.002 20 0 HAADLO CO[C@@]1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCS(=O)(=O)C1 ZINC001477800710 1072546770 /nfs/dbraw/zinc/54/67/70/1072546770.db2.gz ZNAWTKPCWBHXDK-OAHLLOKOSA-N 1 2 411.546 -1.002 20 0 HAADLO CS(=O)(=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC001477856111 1072546699 /nfs/dbraw/zinc/54/66/99/1072546699.db2.gz ZPBNJCJJTYCARS-CVEARBPZSA-N 1 2 404.533 -1.152 20 0 HAADLO CS(=O)(=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)CCO1 ZINC001477856112 1072546816 /nfs/dbraw/zinc/54/68/16/1072546816.db2.gz ZPBNJCJJTYCARS-HOTGVXAUSA-N 1 2 404.533 -1.152 20 0 HAADLO 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CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634861515 1072705449 /nfs/dbraw/zinc/70/54/49/1072705449.db2.gz CQRJTJFLQRORMB-HUUCEWRRSA-N 1 2 418.516 -2.056 20 0 HAADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634861516 1072705497 /nfs/dbraw/zinc/70/54/97/1072705497.db2.gz CQRJTJFLQRORMB-LSDHHAIUSA-N 1 2 418.516 -2.056 20 0 HAADLO COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1O ZINC001635143446 1072706393 /nfs/dbraw/zinc/70/63/93/1072706393.db2.gz RTKBEWKXYSKCLQ-UHFFFAOYSA-N 1 2 414.484 -1.098 20 0 HAADLO COC(=O)[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001636218005 1072709462 /nfs/dbraw/zinc/70/94/62/1072709462.db2.gz RUYRMHWSCYMTJX-OKILXGFUSA-N 1 2 403.505 -1.243 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)CC3)CC1 ZINC001636222251 1072709353 /nfs/dbraw/zinc/70/93/53/1072709353.db2.gz FUNXOJLGNKOLFG-DZGCQCFKSA-N 1 2 424.527 -1.359 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC3)CC1 ZINC001636222252 1072709293 /nfs/dbraw/zinc/70/92/93/1072709293.db2.gz FUNXOJLGNKOLFG-HIFRSBDPSA-N 1 2 424.527 -1.359 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)N2)CC3)CC1 ZINC001636222253 1072709337 /nfs/dbraw/zinc/70/93/37/1072709337.db2.gz FUNXOJLGNKOLFG-UKRRQHHQSA-N 1 2 424.527 -1.359 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC3)CC1 ZINC001636222254 1072709404 /nfs/dbraw/zinc/70/94/04/1072709404.db2.gz FUNXOJLGNKOLFG-ZFWWWQNUSA-N 1 2 424.527 -1.359 20 0 HAADLO CN1C[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)NC1=O ZINC001636222422 1072709541 /nfs/dbraw/zinc/70/95/41/1072709541.db2.gz KJDYMTPJBIJCGE-DZGCQCFKSA-N 1 2 403.487 -1.027 20 0 HAADLO CN1C[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)NC1=O ZINC001636222423 1072709447 /nfs/dbraw/zinc/70/94/47/1072709447.db2.gz KJDYMTPJBIJCGE-HIFRSBDPSA-N 1 2 403.487 -1.027 20 0 HAADLO CN1C[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)NC1=O ZINC001636222424 1072709426 /nfs/dbraw/zinc/70/94/26/1072709426.db2.gz KJDYMTPJBIJCGE-UKRRQHHQSA-N 1 2 403.487 -1.027 20 0 HAADLO CN1C[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)NC1=O ZINC001636222425 1072709522 /nfs/dbraw/zinc/70/95/22/1072709522.db2.gz KJDYMTPJBIJCGE-ZFWWWQNUSA-N 1 2 403.487 -1.027 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC3)CC1 ZINC001636222608 1072709499 /nfs/dbraw/zinc/70/94/99/1072709499.db2.gz PHDJZRMNPUUVDP-JSGCOSHPSA-N 1 2 417.470 -1.453 20 0 HAADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC3)CC1 ZINC001636222609 1072709278 /nfs/dbraw/zinc/70/92/78/1072709278.db2.gz PHDJZRMNPUUVDP-OCCSQVGLSA-N 1 2 417.470 -1.453 20 0 HAADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1CS(N)(=O)=O ZINC001636309349 1072709877 /nfs/dbraw/zinc/70/98/77/1072709877.db2.gz VHFRCLPCVXDFLB-ILXRZTDVSA-N 1 2 402.517 -1.450 20 0 HAADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1CS(N)(=O)=O ZINC001636309350 1072709885 /nfs/dbraw/zinc/70/98/85/1072709885.db2.gz VHFRCLPCVXDFLB-KFWWJZLASA-N 1 2 402.517 -1.450 20 0 HAADLO COC[C@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC001636892618 1072712431 /nfs/dbraw/zinc/71/24/31/1072712431.db2.gz UILBECOLMBTPTR-HNNXBMFYSA-N 1 2 407.537 -1.143 20 0 HAADLO COC[C@@H](CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)OC ZINC001636892619 1072712518 /nfs/dbraw/zinc/71/25/18/1072712518.db2.gz UILBECOLMBTPTR-OAHLLOKOSA-N 1 2 407.537 -1.143 20 0 HAADLO COC(=O)N(C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001636972857 1072712350 /nfs/dbraw/zinc/71/23/50/1072712350.db2.gz NGQCKMZOUKFSTB-UHFFFAOYSA-N 1 2 406.509 -1.496 20 0 HAADLO O=C(NCCS(=O)(=O)C1CCOCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001637037357 1072713001 /nfs/dbraw/zinc/71/30/01/1072713001.db2.gz XEFCNPQVIYPDOU-HNNXBMFYSA-N 1 2 417.528 -1.123 20 0 HAADLO O=C(NCCS(=O)(=O)C1CCOCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001637037358 1072712986 /nfs/dbraw/zinc/71/29/86/1072712986.db2.gz XEFCNPQVIYPDOU-OAHLLOKOSA-N 1 2 417.528 -1.123 20 0 HAADLO CN1CCn2c(CNC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)nnc2C1=O ZINC001637175060 1072713575 /nfs/dbraw/zinc/71/35/75/1072713575.db2.gz QVPMVSDXRXYQCQ-CYBMUJFWSA-N 1 2 405.459 -1.839 20 0 HAADLO CN1CCn2c(CNC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)nnc2C1=O ZINC001637175061 1072713683 /nfs/dbraw/zinc/71/36/83/1072713683.db2.gz QVPMVSDXRXYQCQ-ZDUSSCGKSA-N 1 2 405.459 -1.839 20 0 HAADLO CNC(=O)CN(CC(=O)NC)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001637369551 1072714043 /nfs/dbraw/zinc/71/40/43/1072714043.db2.gz IGHAKWAJKRJUND-UHFFFAOYSA-N 1 2 404.471 -1.169 20 0 HAADLO COC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001637386199 1072714019 /nfs/dbraw/zinc/71/40/19/1072714019.db2.gz SRCFJNLLSHNYGJ-KFWWJZLASA-N 1 2 411.455 -1.412 20 0 HAADLO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001637386200 1072714169 /nfs/dbraw/zinc/71/41/69/1072714169.db2.gz SRCFJNLLSHNYGJ-RBSFLKMASA-N 1 2 411.455 -1.412 20 0 HAADLO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001637386201 1072714158 /nfs/dbraw/zinc/71/41/58/1072714158.db2.gz SRCFJNLLSHNYGJ-RRFJBIMHSA-N 1 2 411.455 -1.412 20 0 HAADLO COC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C[C@H]1C(=O)OC ZINC001637386202 1072714194 /nfs/dbraw/zinc/71/41/94/1072714194.db2.gz SRCFJNLLSHNYGJ-SOUVJXGZSA-N 1 2 411.455 -1.412 20 0 HAADLO COC(=O)COCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001637495104 1072714708 /nfs/dbraw/zinc/71/47/08/1072714708.db2.gz YFRHHPBVTBAGRI-UHFFFAOYSA-N 1 2 407.493 -2.005 20 0 HAADLO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001638204187 1072716603 /nfs/dbraw/zinc/71/66/03/1072716603.db2.gz KQFQBKGBLCZSKO-AWEZNQCLSA-N 1 2 419.486 -1.497 20 0 HAADLO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001638204188 1072716504 /nfs/dbraw/zinc/71/65/04/1072716504.db2.gz KQFQBKGBLCZSKO-CQSZACIVSA-N 1 2 419.486 -1.497 20 0 HAADLO CN(C)S(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001638430523 1072717417 /nfs/dbraw/zinc/71/74/17/1072717417.db2.gz MWPBWPSWAOZNKL-AWEZNQCLSA-N 1 2 402.517 -1.293 20 0 HAADLO CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001638430524 1072717983 /nfs/dbraw/zinc/71/79/83/1072717983.db2.gz MWPBWPSWAOZNKL-CQSZACIVSA-N 1 2 402.517 -1.293 20 0 HAADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC1 ZINC001638670871 1072718478 /nfs/dbraw/zinc/71/84/78/1072718478.db2.gz HEIFJCMVAVQHTG-GFCCVEGCSA-N 1 2 413.504 -1.203 20 0 HAADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC1 ZINC001638670871 1072718471 /nfs/dbraw/zinc/71/84/71/1072718471.db2.gz HEIFJCMVAVQHTG-GFCCVEGCSA-N 1 2 413.504 -1.203 20 0 HAADLO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 ZINC001638670871 1072718462 /nfs/dbraw/zinc/71/84/62/1072718462.db2.gz HEIFJCMVAVQHTG-GFCCVEGCSA-N 1 2 413.504 -1.203 20 0 HAADLO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 ZINC001638670871 1072718454 /nfs/dbraw/zinc/71/84/54/1072718454.db2.gz HEIFJCMVAVQHTG-GFCCVEGCSA-N 1 2 413.504 -1.203 20 0 HAADLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC1 ZINC001638670872 1072718539 /nfs/dbraw/zinc/71/85/39/1072718539.db2.gz HEIFJCMVAVQHTG-LBPRGKRZSA-N 1 2 413.504 -1.203 20 0 HAADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2n[nH]c(CS(C)(=O)=O)n2)CC1 ZINC001638670872 1072718535 /nfs/dbraw/zinc/71/85/35/1072718535.db2.gz HEIFJCMVAVQHTG-LBPRGKRZSA-N 1 2 413.504 -1.203 20 0 HAADLO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 ZINC001638670872 1072718529 /nfs/dbraw/zinc/71/85/29/1072718529.db2.gz HEIFJCMVAVQHTG-LBPRGKRZSA-N 1 2 413.504 -1.203 20 0 HAADLO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)CC1 ZINC001638670872 1072718520 /nfs/dbraw/zinc/71/85/20/1072718520.db2.gz HEIFJCMVAVQHTG-LBPRGKRZSA-N 1 2 413.504 -1.203 20 0 HAADLO NC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001638842646 1072718881 /nfs/dbraw/zinc/71/88/81/1072718881.db2.gz VCLVSPHTJCRGHU-UHFFFAOYSA-N 1 2 402.455 -1.334 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC001638877176 1072718942 /nfs/dbraw/zinc/71/89/42/1072718942.db2.gz JFXMDEGUCRHXPO-CYBMUJFWSA-N 1 2 414.532 -1.016 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC001638877176 1072718939 /nfs/dbraw/zinc/71/89/39/1072718939.db2.gz JFXMDEGUCRHXPO-CYBMUJFWSA-N 1 2 414.532 -1.016 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC001638877177 1072718973 /nfs/dbraw/zinc/71/89/73/1072718973.db2.gz JFXMDEGUCRHXPO-ZDUSSCGKSA-N 1 2 414.532 -1.016 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC001638877177 1072718968 /nfs/dbraw/zinc/71/89/68/1072718968.db2.gz JFXMDEGUCRHXPO-ZDUSSCGKSA-N 1 2 414.532 -1.016 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001638878014 1072718916 /nfs/dbraw/zinc/71/89/16/1072718916.db2.gz UYNLUMSYQHRCND-GOSISDBHSA-N 1 2 409.487 -1.118 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001638878014 1072718911 /nfs/dbraw/zinc/71/89/11/1072718911.db2.gz UYNLUMSYQHRCND-GOSISDBHSA-N 1 2 409.487 -1.118 20 0 HAADLO CNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001638878025 1072718901 /nfs/dbraw/zinc/71/89/01/1072718901.db2.gz UYNLUMSYQHRCND-SFHVURJKSA-N 1 2 409.487 -1.118 20 0 HAADLO CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC001638878025 1072718897 /nfs/dbraw/zinc/71/88/97/1072718897.db2.gz UYNLUMSYQHRCND-SFHVURJKSA-N 1 2 409.487 -1.118 20 0 HAADLO COCCOCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001639559800 1072720665 /nfs/dbraw/zinc/72/06/65/1072720665.db2.gz CSFSZGMCWUGLDU-UHFFFAOYSA-N 1 2 403.505 -1.186 20 0 HAADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001639559967 1072720645 /nfs/dbraw/zinc/72/06/45/1072720645.db2.gz FVOFOBAYPJUSDH-BRWVUGGUSA-N 1 2 409.487 -1.283 20 0 HAADLO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001640284373 1072722675 /nfs/dbraw/zinc/72/26/75/1072722675.db2.gz RJQHUYPSAIDSTE-ARFHVFGLSA-N 1 2 412.487 -1.268 20 0 HAADLO CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001640284374 1072722651 /nfs/dbraw/zinc/72/26/51/1072722651.db2.gz RJQHUYPSAIDSTE-BZUAXINKSA-N 1 2 412.487 -1.268 20 0 HAADLO CCOC(=O)N1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](CO)C1 ZINC001640284375 1072722579 /nfs/dbraw/zinc/72/25/79/1072722579.db2.gz RJQHUYPSAIDSTE-OAGGEKHMSA-N 1 2 412.487 -1.268 20 0 HAADLO CCOC(=O)N1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H](CO)C1 ZINC001640284376 1072722642 /nfs/dbraw/zinc/72/26/42/1072722642.db2.gz RJQHUYPSAIDSTE-XHSDSOJGSA-N 1 2 412.487 -1.268 20 0 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XIZDAYMJCZXWKA-HUUCEWRRSA-N 1 2 408.503 -1.377 20 0 HAADLO C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001687864762 1072801634 /nfs/dbraw/zinc/80/16/34/1072801634.db2.gz XIZDAYMJCZXWKA-LSDHHAIUSA-N 1 2 408.503 -1.377 20 0 HAADLO C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001687864762 1072801616 /nfs/dbraw/zinc/80/16/16/1072801616.db2.gz XIZDAYMJCZXWKA-LSDHHAIUSA-N 1 2 408.503 -1.377 20 0 HAADLO